Search for chemical structures by a sketch :Isobenzofuran-1(3H)-one

Welcome to talk about 87-41-2, If you have any questions, you can contact Chen, XH; Zhao, R; Liu, ZQ; Sun, ST; Ma, YG; Liu, QY; Sun, X; Liu, L or send Email.. Product Details of 87-41-2

Product Details of 87-41-2. I found the field of Chemistry very interesting. Saw the article Redox deracemization of alpha-substituted 1,3-dihydroisobenzofurans published in 2021, Reprint Addresses Liu, L (corresponding author), Shandong Univ, Cheeloo Coll Med, Sch Pharmaceut Sci, Jinan 250012, Peoples R China.; Liu, QY (corresponding author), Shandong Univ Sci & Technol, Coll Chem & Biol Engn, State Key Lab Min Disaster Prevent & Control Cofo, Qingdao 266590, Peoples R China.; Liu, QY (corresponding author), Shandong Univ Sci & Technol, Minist Sci & Technol, Qingdao 266590, Peoples R China.; Sun, X (corresponding author), Shandong Univ, Cheeloo Coll Med, Sch Basic Med Sci, Dept Pharmacol, Jinan 250012, Peoples R China.. The CAS is 87-41-2. Through research, I have a further understanding and discovery of Isobenzofuran-1(3H)-one.

Chiral alpha-substituted 1,3-dihydroisobenzofurans are key scaffolds in a number of bioactive natural products and synthetic pharmaceuticals. However, catalytic asymmetric approaches have been rarely developed. Here, a redox deracemization technology is adopted to address the catalytic asymmetric synthesis. A broad range of alpha-aryl substituted 1,3-dihydroisobenzofurans are effectively deracemized in high efficiency with excellent ee. alpha-Alkynyl substituted ethers were also compatible with the deracemization technology. (c) 2021 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

Welcome to talk about 87-41-2, If you have any questions, you can contact Chen, XH; Zhao, R; Liu, ZQ; Sun, ST; Ma, YG; Liu, QY; Sun, X; Liu, L or send Email.. Product Details of 87-41-2

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem

Chemistry Milestones Of 87-41-2

Welcome to talk about 87-41-2, If you have any questions, you can contact Wang, CQ; Liu, G; Dou, GJ; Yang, Y; Chen, L; Ma, H; Jiang, ZY; Ma, HY; Li, CL; Li, L; Jiang, MD; Lu, QW; Li, P; Qi, HY or send Email.. COA of Formula: C8H6O2

COA of Formula: C8H6O2. Authors Wang, CQ; Liu, G; Dou, GJ; Yang, Y; Chen, L; Ma, H; Jiang, ZY; Ma, HY; Li, CL; Li, L; Jiang, MD; Lu, QW; Li, P; Qi, HY in ELSEVIER GMBH published article about in [Wang, Chengqiang; Liu, Gen; Dou, Guojun; Yang, Yi; Chen, Lu; Ma, Hui; Jiang, Zhuyun; Ma, Haoyue; Li, Li; Qi, Hongyi] Southwest Univ, Coll Pharmaceut Sci, 2 Tiansheng Rd, Chongqing 400715, Peoples R China; [Wang, Chengqiang; Liu, Gen; Dou, Guojun; Yang, Yi; Chen, Lu; Ma, Hui; Jiang, Zhuyun; Ma, Haoyue; Li, Li; Qi, Hongyi] Southwest Univ, Coll Chinese Med, 2 Tiansheng Rd, Chongqing 400715, Peoples R China; [Li, Chenglong] Sichuan Prov Peoples Hosp, Dept Hematol, Chengdu 610212, Sichuan, Peoples R China; [Jiang, Mingdong; Lu, Qianwei; Li, Pan] Chongqing Ninth Peoples Hosp, Dept Oncol & Hematol, Jialing Village 69, Chongqing 400700, Peoples R China in 2021, Cited 24. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2

Background: Acute myeloid leukemia (AML) is a devastating hematologic malignancy with a high mortality. The nuclear receptors Nur77 and NOR-1 are commonly downregulated in human AML blasts and have emerged as key therapeutic targets for AML. Methods: This study aimed to identify Z-ligustilide (Z-LIG), the main phthalide of Rhizoma Chuanxiong, as a potential agent that can selectively target AML. The anti-AML activity of Z-LIG was evaluated in vitro and in vivo, and the effect and underlying mechanisms of Z-LIG on the restoration of Nur77 and NOR-1 was determined. Moreover, the role of Nur77 and NOR-1 in the regulation of Z-LIG-induced apoptosis and differentiation of AML cells was explored. Results: Z-LIG preferentially inhibited the viability of human AML cells, as well as suppressed the proliferation and colony formation ability. Notably, a concentration-dependent dual effect of Z-LIG was observed in AML cells: inducing apoptosis at relatively high concentrations (25 mu M to 100 mu M) and promoting differentiation at relatively low concentrations (10 mu M and 25 mu M). Importantly, Z-LIG restored Nur77 and NOR-1 expression in AML cells by increasing Ace-H3 (lys9/14) enrichment in their promoters. Meanwhile, Z-LIG enhanced the recruitment of p300 and reduced the recruitment of HDAC1, HDAC4/5/7, and MTA1 in the Nur77 promoter and enhanced the recruitment of p-CREB and reduced HDAC1 and HDAC3 in the NOR-1 promoter. Furthermore, Z-LIG-induced apoptosis was shown to be correlated with the mitochondria localization of Nur77/NOR-1 and subsequent Bcl-2 conformational change, converting Bcl-2 from a cyto-protective phenotype into a cyto-destructive phenotype. ZLIG-promoted differentiation was found to be related to Nur77/NOR-1-mediated myeloid differentiation-associated transcription factors Jun B, c-Jun, and C/EBP beta. Finally, silencing of Nur77 and NOR-1 attenuated anti-AML activity of Z-LIG in NOD/SCID mice. Conclusions: Our study suggests that Z-LIG may serve as a novel bifunctional agent for AML by restoring Nur77/NOR-1-mediated apoptosis and differentiation

Welcome to talk about 87-41-2, If you have any questions, you can contact Wang, CQ; Liu, G; Dou, GJ; Yang, Y; Chen, L; Ma, H; Jiang, ZY; Ma, HY; Li, CL; Li, L; Jiang, MD; Lu, QW; Li, P; Qi, HY or send Email.. COA of Formula: C8H6O2

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem

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Category: benzofurans. Bye, fridends, I hope you can learn more about C8H6O2, If you have any questions, you can browse other blog as well. See you lster.

I found the field of Chemistry very interesting. Saw the article Indandione-Terminated Quinoids:Facile Synthesis by Alkoxide-Mediated Rearrangement Reaction and Semiconducting Properties published in 2020. Category: benzofurans, Reprint Addresses Deng, YF; Geng, YH (corresponding author), Tianjin Univ, Sch Mat Sci & Engn, Tianjin 300072, Peoples R China.; Deng, YF; Geng, YH (corresponding author), Tianjin Univ, Tianjin Key Lab Mol Optoelect Sci, Tianjin 300072, Peoples R China.; Deng, YF; Geng, YH (corresponding author), Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Tianjin 300072, Peoples R China.; Geng, YH (corresponding author), Tianjin Univ, Joint Sch Natl Univ Singapore & Tianjin Univ, Int Campus, Fuzhou 350207, Fujian, Peoples R China.. The CAS is 87-41-2. Through research, I have a further understanding and discovery of Isobenzofuran-1(3H)-one

A series of 1,3-indandione-terminated pi-conjugated quinoids were synthesized by alkoxide-mediated rearrangement reaction of the respective alkene precursors, followed by air oxidation. This new protocol allows access to quinoidal compounds with variable termini and cores. The resulting quinoids all show LUMO levels below -4.0 eV and molar extinction coefficients above 10(5) L mol(-1) cm(-1). The optoelectronic properties of these compounds can be regulated by tuning the central cores as well as the aryl termini ascribed to the delocalized frontier molecular orbitals over the entire molecular skeleton involving aryl termini. n-Channel organic thin-film transistors with electron mobility of up to 0.38 cm(2) V-1 s(-1) were fabricated, showing the potential of this new class of quinoids as organic semiconductors.

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Recommanded Product: 87-41-2. In 2020 TETRAHEDRON LETT published article about GENERAL-ACID CATALYSIS; NUCLEOPHILIC-ATTACK; HYDROLYSIS; CONJUGATE; RESONANCE; DESIGN; FIELD; OXIDE in [Backer, Brian S.; Choy, Cindy J.; Davis, Austen L.; Browne, Zachery S.; Berkman, Clifford E.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA in 2020, Cited 28. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2.

We previously described a pH-sensitive phosphoramidate linker scaffold that can be tuned to release amine-containing drugs at various pH values. In these previous studies it was determined that the tunability of this linker was dependent upon the proximity of an acidic group (e.g., carboxylic acid or pyridinium). In this study, we confirmed that the tunability of pH-triggered amine-release was also dependent upon the pK(a) of the proximal acidic group. A series of 2-carboxybenzyl phosphoramidates was prepared in which the pK(a) of the proximal benzoic acid was predictably attenuated by substituents on the benzoate ring consistent with their sigma-values. (C) 2020 Elsevier Ltd. All rights reserved.

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Benzofuran – Wikipedia,
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Bye, fridends, I hope you can learn more about C8H6O2, If you have any questions, you can browse other blog as well. See you lster.. Category: benzofurans

Recently I am researching about C-H BONDS; RACEMIC SECONDARY ALCOHOLS; HYDROGEN-PEROXIDE; ASYMMETRIC EPOXIDATION; OXOCARBENIUM IONS; AEROBIC OXIDATION; HYDROXYLATION; MECHANISM; COMPLEX; DESYMMETRIZATION, Saw an article supported by the National Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21722204, 21971148]. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Sun, ST; Ma, YG; Liu, ZQ; Liu, L. The CAS is 87-41-2. Through research, I have a further understanding and discovery of Isobenzofuran-1(3H)-one. Category: benzofurans

A manganese-catalyzed oxidative kinetic resolution of cyclic benzylic ethers through asymmetric C(sp(3))-H oxidation is reported. The practical approach is applicable to a wide range of 1,3-dihydroisobenzofurans bearing diverse functional groups and substituent patterns at the alpha position with extremely efficient enantiodiscrimination. The generality of the strategy was further demonstrated by efficient oxidative kinetic resolution of another type of five-membered cyclic benzylic ether, 2,3-dihydrobenzofurans, and six-membered 6H-benzo[c]chromenes. Direct late-stage oxidative kinetic resolution of bioactive molecules that are otherwise difficult to access was further explored.

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Welcome to talk about 87-41-2, If you have any questions, you can contact Dai, Y; Li, KL; She, JL; Zeng, YB; Wang, H; Liao, SR; Lin, XP; Yang, B; Wang, JF; Tao, HM; Dai, HF; Zhou, XF; Liu, YH or send Email.. Recommanded Product: 87-41-2

An article Lipopeptide Epimers and a Phthalide Glycerol Ether with AChE Inhibitory Activities from the Marine-Derived Fungus Cochliobolus Lunatus SCSIO41401 WOS:000593184400001 published article about ACETYLCHOLINESTERASE in [Dai, Yu; Li, Kunlong; She, Jianglian; Liao, Shengrong; Lin, Xiuping; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Liu, Yonghong] Chinese Acad Sci, South China Sea Inst Oceanol, Guangdong Key Lab Marine Mat Med, CAS Key Lab Trop Marine Bioresources & Ecol, Guangzhou 510301, Peoples R China; [Li, Kunlong; Liao, Shengrong; Lin, Xiuping; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Liu, Yonghong] Southern Marine Sci & Engn Guangdong Lab Guangzho, Guangzhou 511458, Peoples R China; [Zeng, Yanbo; Wang, Hao; Dai, Haofu] Chinese Acad Trop Agr Sci, Inst Trop Biosci & Biotechnol, Res & Dev Nat Prod Li Folk Med, Haikou 571101, Hainan, Peoples R China; [Tao, Huaming] Southern Med Univ, Sch Tradit Chinese Med, Guangzhou 510515, Peoples R China; [Liu, Yonghong] Shenyang Pharmaceut Univ, Wuya Coll Innovat, Shenyang 110016, Peoples R China in 2020, Cited 21. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2. Recommanded Product: 87-41-2

A pair of novel lipopeptide epimers, sinulariapeptides A (1) and B (2), and a new phthalide glycerol ether (3) were isolated from the marine algal-associated fungus Cochliobolus lunatus SCSIO41401, together with three known chromanone derivates (4-6). The structures of the new compounds, including the absolute configurations, were determined by comprehensive spectroscopic methods, experimental and calculated electronic circular dichroism (ECD), and Mo-2 (OAc)(4)-induced ECD methods. The new compounds 1-3 showed moderate inhibitory activity against acetylcholinesterase (AChE), with IC50 values of 1.3-2.5 mu M, and an in silico molecular docking study was also performed.

Welcome to talk about 87-41-2, If you have any questions, you can contact Dai, Y; Li, KL; She, JL; Zeng, YB; Wang, H; Liao, SR; Lin, XP; Yang, B; Wang, JF; Tao, HM; Dai, HF; Zhou, XF; Liu, YH or send Email.. Recommanded Product: 87-41-2

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Search for chemical structures by a sketch :87-41-2

SDS of cas: 87-41-2. Bye, fridends, I hope you can learn more about C8H6O2, If you have any questions, you can browse other blog as well. See you lster.

Authors Chen, XH; Zhao, R; Liu, ZQ; Sun, ST; Ma, YG; Liu, QY; Sun, X; Liu, L in ELSEVIER SCIENCE INC published article about C-H ALKYNYLATION; BRONSTED ACID; AMINE OXIDASE; DERACEMISATION; RACEMATE in [Chen, Xiaohan; Zhao, Ran; Liu, Ziqiang; Ma, Yingang; Liu, Lei] Shandong Univ, Cheeloo Coll Med, Sch Pharmaceut Sci, Jinan 250012, Peoples R China; [Chen, Xiaohan; Liu, Qingyun] Shandong Univ Sci & Technol, Coll Chem & Biol Engn, State Key Lab Min Disaster Prevent & Control Cofo, Qingdao 266590, Peoples R China; [Chen, Xiaohan; Liu, Qingyun] Shandong Univ Sci & Technol, Minist Sci & Technol, Qingdao 266590, Peoples R China; [Sun, Shutao; Liu, Lei] Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China; [Liu, Lei] Shandong Univ, Shenzhen Res Inst, Shenzhen 518057, Peoples R China; [Liu, Ziqiang; Sun, Xia] Shandong Univ, Cheeloo Coll Med, Sch Basic Med Sci, Dept Pharmacol, Jinan 250012, Peoples R China in 2021, Cited 35. SDS of cas: 87-41-2. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2

Chiral alpha-substituted 1,3-dihydroisobenzofurans are key scaffolds in a number of bioactive natural products and synthetic pharmaceuticals. However, catalytic asymmetric approaches have been rarely developed. Here, a redox deracemization technology is adopted to address the catalytic asymmetric synthesis. A broad range of alpha-aryl substituted 1,3-dihydroisobenzofurans are effectively deracemized in high efficiency with excellent ee. alpha-Alkynyl substituted ethers were also compatible with the deracemization technology. (c) 2021 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

SDS of cas: 87-41-2. Bye, fridends, I hope you can learn more about C8H6O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem

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COA of Formula: C8H6O2. Bye, fridends, I hope you can learn more about C8H6O2, If you have any questions, you can browse other blog as well. See you lster.

COA of Formula: C8H6O2. Lei, W; Deng, YF; Hu, XY; Ni, JN; Jiang, M; Bai, G in [Lei, Wei; Deng, Yan-Fang; Hu, Xue-Yan; Jiang, Min; Bai, Gang] Nankai Univ, Coll Pharm, State Key Lab Med Chem Biol, Haihe Educ Pk,38 Tongyan Rd, Tianjin 300353, Peoples R China; [Lei, Wei; Deng, Yan-Fang; Hu, Xue-Yan; Jiang, Min; Bai, Gang] Nankai Univ, Tianjin Key Lab Mol Drug Res, Haihe Educ Pk,38 Tongyan Rd, Tianjin 300353, Peoples R China; [Ni, Jia-Nan] Tianjing Univ Tradit Chinese Med, Coll Tradit Chinese Med, Tianjin 300193, Peoples R China published Phthalides, senkyunolide A and ligustilide, show immunomodulatory effect in improving atherosclerosis, through inhibiting AP-1 and NF-kappa B expression in 2019, Cited 36. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2.

Atherosclerosis is initiated by the local inflammation response to lipid deposition, and the most commonly administered antiatherogenic drugs are statins. Based on traditional Chinese medicine (TCM) evidence, we aimed to find effective therapeutic agents other than statins. A TCM, Suxiao Jiuxin Pill (SX), has been widely used in curing cardiovascular diseases for thirty years. In this paper, a combination of pharmacologic studies and RNA-Seq transcriptomics were employed to explore the pharmacodynamic advantages of SX over atorvastatin in the ApoE(-/-) mouse. 113 differentially expressed genes that were modulated by SX to a greater degree than atorvastatin were primarily involved in immunomodulation. The expression of BTK, AKT1, c-jun and CD137 was effectively regulated by SX with better effect than atorvastatin. Then a dual-luciferase reporter assay for NF-kappa B inhibition was applied to identify active components in SX. As a result, Senkyunolide A (Sen A) and Ligustilide (Lig), the key immunomodulatory ingredients in SX, were found to inhibit the expression of CD137 which is a diagnostic biomarker in atherosclerosis. It was further confirmed that Lig effectively suppressed the expression of AP-1 and NF-kappa B and the phosphorylation of AKT. Therefore, Lig achieved its CD137 inhibition through suppressing the expression of AP-1 and AKT/NF-kappa B signaling pathway, which partly explains the immunomodulation of SX in atherosclerosis. Above all, phthalides may be the primary components of SX improving immune and inflammation response in atherosclerosis.

COA of Formula: C8H6O2. Bye, fridends, I hope you can learn more about C8H6O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzofuran – Wikipedia,
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Get Up to Speed Quickly on Emerging Topics:C8H6O2

Welcome to talk about 87-41-2, If you have any questions, you can contact Yu, LY; Huang, HB; Wang, XH; Li, S; Feng, NX; Zhao, HM; Huang, XP; Li, YW; Li, H; Cai, QY; Mo, CH or send Email.. Recommanded Product: 87-41-2

Recommanded Product: 87-41-2. Yu, LY; Huang, HB; Wang, XH; Li, S; Feng, NX; Zhao, HM; Huang, XP; Li, YW; Li, H; Cai, QY; Mo, CH in [Yu, Le-Yi; Huang, He-Biao; Wang, Xiao-Hong; Li, Sha; Feng, Nai-Xian; Zhao, Hai-Ming; Huang, Xian-Pei; Li, Yan-Wen; Li, Hui; Cai, Quan-Ying; Mo, Ce-Hui] Jinan Univ, Coll Life Sci & Technol, Guangdong Prov Res Ctr Environm Pollut Control &, Guangzhou 510632, Guangdong, Peoples R China published Novel phosphate-solubilising bacteria isolated from sewage sludge and the mechanism of phosphate solubilisation in 2019, Cited 73. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2.

A great amount of insoluble phosphate in agricultural soils is not available for crops. Three strains of bacteria (Bacillus megaterium YLYP1 Pseudumonas prosekii YLYP6 and Pseudomonas sp. YLYP29) isolated from activated sludge and soil could efficiently solubilise tricalcium phosphate. In particular, the novel strain P. prosekii YLYP6 produced 716 mg L-1 of available phosphate within 6 days under the optimal culture conditions [20 degrees C, pH 7.9, inoculum size of 0.5% (v:v)] determined by response surface methodology. P. prosekii YLYP6 demonstrated efficient phosphate solubilisation in response to broad variations in pH (5-9) and temperature (15-35 degrees C). The phosphate solubilisation curves of the strains fit well with a first-order kinetic model (R-2 > 0.939), with a halt-life of 1.51-5.94 d for 5.0 g L-1 calcium phosphate. Continuous culture experiments combined with scanning electron microscopic observations and gas chromatography-mass spectrometry analysis revealed that 2,3-dimethylfumaric acid, gluconic and N-butyl-tert-butylamine that were produced by P. prosekii YLYP6 were responsible for phosphate solubilisation by supplying H+ ions and organic anions. Efficient phosphate solubilisation in actual soil by P. prosekii YLYP6 demonstrated the strong application potential to reduce the use of chemical P fertilisers and the resulting agricultural nonpoint pollution. (C) 2018 Elsevier B.V. All rights reserved.

Welcome to talk about 87-41-2, If you have any questions, you can contact Yu, LY; Huang, HB; Wang, XH; Li, S; Feng, NX; Zhao, HM; Huang, XP; Li, YW; Li, H; Cai, QY; Mo, CH or send Email.. Recommanded Product: 87-41-2

Reference:
Benzofuran – Wikipedia,
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SDS of cas: 87-41-2. Welcome to talk about 87-41-2, If you have any questions, you can contact Liu, YY; Zhao, H; Xie, J; Zou, J; Hu, D; Guo, LD; Chen, GD; Yao, XS; Gao, H or send Email.

Recently I am researching about SECONDARY METABOLITES; FUNGUS; SPIROBISNAPHTHALENES; PATHOGEN; SKELETON; LEAVES, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [81673315, 3171101305, 81803408]; Ministry of Education of ChinaMinistry of Education, China; Guangdong Natural Science Funds for Distinguished Young Scholar [2017A03036027]; Guangdong Special Support Program [2016TX03R280]; Guangdong Province Universities and Colleges Pearl River Scholar Funded Scheme (2014); Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program [2017BT01Y036]; Pearl River Nova Program of Guangzhou [201610010021]; K. C. Wong Education Foundation; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities [21618336]. Published in ELSEVIER in AMSTERDAM ,Authors: Liu, YY; Zhao, H; Xie, J; Zou, J; Hu, D; Guo, LD; Chen, GD; Yao, XS; Gao, H. The CAS is 87-41-2. Through research, I have a further understanding and discovery of Isobenzofuran-1(3H)-one. SDS of cas: 87-41-2

Five new phthalide derivatives, biscogniphthalides A-D (1, 2, 3a/3b, and 4), were isolated from Biscogniauxia sp. (No. 69-8-7-1), along with one related known phthalide (5). Their structures were determined by comprehensive spectroscopic analyses, chemical derivatization, and quantum chemical ECD calculations. In addition, the anti-acetyl cholinesterase, antimicrobial, and anti-a-glucosidase activities of 1-5 were evaluated.

SDS of cas: 87-41-2. Welcome to talk about 87-41-2, If you have any questions, you can contact Liu, YY; Zhao, H; Xie, J; Zou, J; Hu, D; Guo, LD; Chen, GD; Yao, XS; Gao, H or send Email.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem