Month: November 2022

Sundarrajan, Sudharsana published the artcileA systems pharmacology perspective to decipher the mechanism of action of Parangichakkai chooranam, a Siddha formulation for the treatment of psoriasis, Quality Control of 56317-21-6, the publication is Biomedicine & Pharmacotherapy (2017), 74-86, database is CAplus and MEDLINE.

Psoriasis is a chronic relapsing immune mediated disorder of the skin. The disease presents itself with well featured clin. and histol. characteristics however the etiol. of the disease still remains obscure. The current systemic therapies aim to eliminate the symptoms of disease rather than offering a complete cure. Parangichakkai chooranam (PC), a Siddha oral herbal formulation has been widely prescribed for the treatment of psoriasis. Though the medication is highly prescribed by the Siddha healers the mechanism of PC for the treatment of psoriasis remains to be elucidated. The current study utilizes an integrated systems pharmacol. approach to decipher the mechanism of action of PC. The comprehensive network pharmacol. approach resulted in the construction of a Compound-Target network which encloses 155 compounds and 583 protein targets. A Disease-Target network was constructed by assembling disease proteins and their partners. When the compound targets were mapped to the network their involvement as controllers of the disease and triggers of disease associated comorbidities were identified. A Target-Pathway network raised from the pathway enrichment anal. not only identified disease specific pathways but also the pathways mediating secondary complications such as skin hemostasis, wound healing, desquamation and itch. The present work sheds light on the mechanism of action of PC in treating psoriasis. This work not only highlights the pharmacol. action of the formulation but also emphasis on safe herbal remedies offered by the Siddha medicinal system.

Biomedicine & Pharmacotherapy published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C19H34ClN, Quality Control of 56317-21-6.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Quasdorf, Kyle W. published the artcileSuzuki-Miyaura Cross-Coupling of Aryl Carbamates and Sulfamates: Experimental and Computational Studies, Category: benzofurans, the publication is Journal of the American Chemical Society (2011), 133(16), 6352-6363, database is CAplus and MEDLINE.

The first Suzuki-Miyaura cross-coupling reactions of the synthetically versatile aryl O-carbamate and O-sulfamate groups are described. The transformations utilize the inexpensive, bench-stable catalyst NiCl₂(PCy₃)₂ to furnish biaryls in good to excellent yields. A broad scope for this methodol. has been demonstrated. Substrates with electron-donating and electron-withdrawing groups are tolerated, in addition to those that possess ortho substituents. Furthermore, heteroaryl substrates may be employed as coupling partners. A computational study providing the full catalytic cycles for these cross-coupling reactions is described. The oxidative addition with carbamates or sulfamates occurs via a five-centered transition state, resulting in the exclusive cleavage of the aryl C-O bond. Water is found to stabilize the Ni-carbamate catalyst resting state, which thus provides rationalization of the relative decreased rate of coupling of carbamates. Several synthetic applications are presented to showcase the utility of the methodol. in the synthesis of polysubstituted aromatic compounds of natural product and bioactive mol. interest.

Journal of the American Chemical Society published new progress about 69626-75-1. 69626-75-1 belongs to benzofurans, auxiliary class Iodide,Benzofuran, name is 2-Iodobenzofuran, and the molecular formula is C8H5IO, Category: benzofurans.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Dring, Ann M. published the artcileRational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands, Formula: C28H18O4, the publication is Chemico-Biological Interactions (2010), 188(3), 512-525, database is CAplus and MEDLINE.

Constitutive androstane receptor (CAR) and pregnane X receptor (PXR) are closely related orphan nuclear receptor proteins that share several ligands and target overlapping sets of genes involved in homeostasis and all phases of drug metabolism CAR and PXR are involved in the development of certain diseases, including diabetes, metabolic syndrome and obesity. Ligand screens for these receptors so far have typically focused on steroid hormone analogs with pharmacophore-based approaches, only to find relatively few new hits. Multiple CAR isoforms have been detected in human liver, with the most abundant being the constitutively active reference, CAR1, and the ligand-dependent isoform CAR3. It has been assumed that any compound that binds CAR1 should also activate CAR3, and so CAR3 can be used as a ligand-activated surrogate for CAR1 studies. The possibility of CAR3-specific ligands has not, so far, been addressed. To investigate the differences between CAR1, CAR3 and PXR, and to look for more CAR ligands that may be of use in quant. structure-activity relationship (QSAR) studies, we performed a luciferase transactivation assay screen of 60 mostly non-steroid compounds Known active compounds with different core chemistries were chosen as starting points and structural variants were rationally selected for screening. Distinct differences in agonist vs. inverse agonist/antagonist effects were seen in 49 compounds that had some ligand effect on at least one receptor and 18 that had effects on all three receptors; eight were CAR1 ligands only, three were CAR3 only ligands and four affected PXR only. This work provides evidence for new CAR ligands, some of which have CAR3-specific effects, and provides observational data on CAR and PXR ligands with which to inform in silico strategies. Compounds that demonstrated unique activity on any one receptor are potentially valuable diagnostic tools for the investigation of in vivo mol. targets.

Chemico-Biological Interactions published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Formula: C28H18O4.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Nakamura, Naoki published the artcileThe response characteristic of optical carbon dioxide sensor using pH indicator immobilized in ethyl cellulose film, Computed Properties of 596-01-0, the publication is Transactions of the Materials Research Society of Japan (2004), 29(3), 923-926, database is CAplus.

A new optical CO₂ sensor based on the overlay of the CO₂ induced absorbance change of pH indicator α-naphtholphthalein with fluorescence of tetraphenylporphine (TPP) was developed and its CO₂ sensing characteristics were studied. The observed fluorescence intensity from TPP at 655 nm increased with increasing CO₂ concentration The I₁₀₀/I₀ value that shows the sensitivity of sensor containing 13.4 mmol dm^-3 α-naphtholphthalein concentration is estimated to be 168, where I₀ and I₁₀₀ represent observed fluorescence intensities from a film exposed to argon and CO₂ saturated condition, resp. The response time of the sensing film containing 13.4 mmol dm^-3 α-naphtholphthalein concentration was 3.8 s for switching from argon to CO₂ and the recovery time of the sensing film also was 6.8 s for switching from CO₂ to argon.

Transactions of the Materials Research Society of Japan published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Computed Properties of 596-01-0.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Ramart, Pauline published the artcileMolecular transpositions in the α,α,α-alkyldiarylethanol series, Synthetic Route of 596-01-0, the publication is Compt. rend. (1926), 1342-4, database is CAplus.

It has already been shown (cf. C. A. 19, 645) that by dehydration of primary alkyldiaryl alcs., transposition of the aryl radical occurs when the hydrocarbon is formed. In a further study of this dehydration and transposition the following alcs. were prepared, the 1st being unknown heretofore. 2,2,3-Triphenylpropanol, Ph₂(PhCH₂)CCH₂OH, from benzyl diphenylbenzylacetate and Na in absolute EtOH, m. 80°, b₁₆ 240°; phenylurethan, m. 169°; Bz derivative, m. 95°. (PhCH₂)₂PhCOH, by condensation of BzMgCl with desoxybenzoin. Ph₂(PhCH₂CH₂)COH, from PhMgBr and PhCH₂CH₂CO₂Et. Dehydration of Ph₂(PhCH₂)CCH₂OH with P₂O₂ gave a mixture of Ph₂C:CHCH₂Ph and Ph(PhCH₂)C:CHPh, the latter predominating.

Compt. rend. published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Synthetic Route of 596-01-0.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Kapche, Gilbert D. W. F. published the artcileHepatoprotective and antioxidant arylbenzofurans and flavonoids from the twigs of Morus mesozygia, Category: benzofurans, the publication is Planta Medica (2011), 77(10), 1044-1047, database is CAplus and MEDLINE.

The chem. investigation of the twigs of Morus mesozygia resulted in the isolation of three new prenylated 2-arylbenzofurans, named moracin KM, LM, and SC (1-3), nine known 2-arylbenzofurans (4-12), and two known flavonoids (13-14). The structures of the new compounds were established as [2”’,3”’:6,7]-(6-(S)-hydroxymethyl-6-methylpyrano)-2-(3,5-dihydroxyphenyl)benzofuran-5-ol (1), [2”,3”:6,7]-(4,7-dihydro-6-methyloxepine)-2-(3-hydroxy-5-methoxyphenyl)benzofuran-5-ol (2), and [2”’,3”:6,7]-(6,6-dimethylpyrano)-2-(3,5-dihydroxyphenyl)benzofuran (3). One of the new compounds, moracin LM (2), displayed modest antioxidant activity, whereas known compounds 4, 13, and 14 showed significant hepatoprotective and antioxidant activities.

Planta Medica published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C14H10O4, Category: benzofurans.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Fozing, Christian D. A. published the artcilePhosphodiesterase I-inhibiting Diels-Alder adducts from the leaves of Morus mesozygia, Synthetic Route of 56317-21-6, the publication is Planta Medica (2012), 78(2), 154-159, database is CAplus and MEDLINE.

A new 2-arylbenzofuran derivative, (+)-dimethylsmoracin O (1), and three new Diels-Alder type adducts, mesozygins A-C (2-4), in addition to eight known compounds, artonin I (5), chalcomaracin (6), norartocarpetin (7), moracin L (8), mulberrofuran F (9), moracin M (10), moracin C (11), and morachalcone A (12), were isolated from the leaves of Morus mesozygia Stapf. Structures were elucidated by spectroscopic data analyses. Compounds 2-7 displayed a potent phosphodiesterase I inhibitory activity.

Planta Medica published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C14H10O4, Synthetic Route of 56317-21-6.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Fernandez-Ramos, M. D. published the artcileIonic liquids on optical sensors for gaseous carbon dioxide, Application In Synthesis of 596-01-0, the publication is Analytical and Bioanalytical Chemistry (2018), 410(23), 5931-5939, database is CAplus and MEDLINE.

This work presents a study on the influence of eight different ionic liquids (ILs) in the composition of dry membranes used for gaseous CO₂ optical sensing. The presence of CO₂ causes a displacement of a colorimetric pH indicator toward its acid form that increases the emission intensity of the luminophore by an inner filter process. The influence of ILs in the membrane on the stability and dynamic behavior-usually the main drawbacks of these sensors-of the membranes was studied. The characterization of the different membranes prepared was carried out and the discussion of the results is presented. In all cases, the response and recovery times improved considerably, with the best case being response times of only 10 s and recovery times of 48 s, compared to response and recovery times of 41 and 100 s, resp., for membranes without IL. The useful life of the detection membranes is also considerably longer than that of membranes that do not include IL, at least 292 days in the best case. The sensing membrane without luminophore and only containing the pH indicator is proposed for the color-based measurement of CO₂ using a digital camera for possible use in food-packaging technol. [Figure not available: see fulltext.].

Analytical and Bioanalytical Chemistry published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Application In Synthesis of 596-01-0.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Meier, Michael A. R. published the artcileStatistical Approach To Understand MALDI-TOFMS Matrices: Discovery and Evaluation of New MALDI Matrices, Related Products of benzofurans, the publication is Analytical Chemistry (2007), 79(3), 863-869, database is CAplus and MEDLINE.

A statistical approach is described to better understand the role of the matrix during a MALDI-TOFMS experiment Potential matrix mols. were selected based on a rational exptl. design and subsequently screened in order to investigate whether a certain compound can act as a matrix for synthetic polymers. The tested compounds were selected from a pool of 11 000 mols. based on descriptor calculations and a subsequent D-optimal design selection procedure. This approach selected 59 organic compounds that were then investigated for their ability to act a matrix for synthetic polymers in MALDI-TOFMS experiments Within this contribution, we focus on the discussion of new MALDI-TOFMS matrixes that were discovered in the course of the screening. At least 10 new matrixes were identified, and 5 of these were subsequently tested more closely with a variety of different synthetic polymers of different mol. weights revealing good to excellent performance of these new matrixes.

Analytical Chemistry published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Related Products of benzofurans.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Nika, Maria-Christina published the artcileNon-target trend analysis for the identification of transformation products during ozonation experiments of citalopram and four of its biodegradation products, Quality Control of 372941-54-3, the publication is Journal of Hazardous Materials (2021), 126401, database is CAplus and MEDLINE.

During ozonation in wastewater treatment plants, ozone reacts with emerging pollutants, which are partially removed through the secondary treatment, as long as, with their biotransformation products, triggering the formation of ozonation transformation products (TPs). Although the transformation of parent compounds (PCs) and their metabolites has been reported in the literature, the probable transformation of biotransformation products has not been investigated so far. This study evaluates the fate of citalopram (CTR) and four of its biotransformation products (DESCTR, CTRAM, CTRAC and CTROXO) during ozonation experiments A Gaussian curve-based trend anal. was performed for the first time for the automated detection of TPs in ozone concentrations ranging from 0.06 to 12 mg/L. In total 46 ozonation TPs were detected; 7 TPs of CTR, 10 of DESCTR, 9 of CTRAM, 12 of CTRAC and 8 of CTROXO and were structurally elucidated based on their high resolution tandem mass spectra interpretation and tandem mass spectra similarity with the resp. PC. Results have demonstrated that the examined compounds follow common transformation pathways in reaction with ozone and that common TPs were formed through the ozonation of different structurally-alike compounds Moreover, the toxicity of the identified TPs was predicted with an inhouse risk assessment program.

Journal of Hazardous Materials published new progress about 372941-54-3. 372941-54-3 belongs to benzofurans, auxiliary class Other Aliphatic Heterocyclic,Fluoride,Nitrile,Amine,Benzene,Ester, name is 1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile, and the molecular formula is C20H19FN2O2, Quality Control of 372941-54-3.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem