Tag: M.W:100-200

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Microbial asymmetric reduction of ethyl 4-chloro-3-oxobutanoate to optically active ethyl 4-chloro-3-hydroxybutanoate, published in 1990-08-31, which mentions a compound: 90866-33-4, Name is (R)-Ethyl 4-chloro-3-hydroxybutanoate, Molecular C6H11ClO3, Recommanded Product: 90866-33-4.

The synthesis of Et (R)-4-chloro-3-hydroxybutanoate through the asym. reduction of Et 4-chloro-3-oxobutanoate with the NADPH-dependent aldehyde reductase of Sporobolomyces salmonicolor AKU 4429 is described. Under preparative scale reaction conditions with the acetone-fractionated aldehyde reductase, the amount of Et 4-chloro-3-hydroxybutanoate reached 33.2 mg/mL (molar yield, 74.0%). Furthermore, conversion to Et (S)-4-chloro-3-hydroxybutanoate occurred on incubation with washed cells of Trichosporon cutaneum AKU 4864 as the catalyst.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate(SMILESS: O=C(OCC)C[C@@H](O)CCl,cas:90866-33-4) is researched.Recommanded Product: 4774-24-7. The article 《Synthesis of ethyl (S)-4-chloro-3-hydroxybutanoate using fabG-homologues》 in relation to this compound, is published in Applied Microbiology and Biotechnology. Let’s take a look at the latest research on this compound (cas:90866-33-4).

This paper is a report on the successful application of bioinformatics to enzyme screening. The synthesis of Et (S)-4-chloro-3-hydroxybutanoate (ECHB) by asym. reduction of Et 4-chloroacetoacetate (ECAA) using fabG-homolog was studied. β-Ketoacyl-acyl carrier protein reductases from both Escherichia coli and Bacillus subtilis, which are components of type II fatty acid synthase, could reduce ECAA to (S)-ECHB with 94-98% ee. Furthermore, acetoacetyl-CoA reductases (ARs) from both Ralstonia eutropha and Zoogloea ramigera, whose genes are significantly similar to fabG genes and play a physiol. role in the biosynthesis of poly-β-3-hydroxybutyrate, could also catalyze the asym. reduction of ECAA to (S)-ECHB with >99% ee. (S)-ECHB was synthesized to 48.7 g/l with an optical purity of 99.8% ee, using recombinant E. coli cells coexpressing AR from R. eutropha and glucose dehydrogenase from B. subtilis for the regeneration of NADPH.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Fluorocyano-benzenes and -pyridines》. Authors are Finger, G. C.; Dickerson, D. R.; Adl, Touradj; Hodgins, T..The article about the compound:6-Fluoronicotinonitrilecas:3939-12-6,SMILESS:N#CC1=CC=C(F)N=C1).Safety of 6-Fluoronicotinonitrile. Through the article, more information about this compound (cas:3939-12-6) is conveyed.

Chlorobenzonitriles stirred and heated at 160-200° with anhydrous KF in Me2SO2 (CA 57, 12358i; 59, 1585a) gave 50-80% of the following I (R = mono- or disubstituted) (R and m.p. CN or b.p./mm. given): 2-F, 103°/35; 4-F, 38°; 2,4-F2, 46°; 2,6-F2, 99°/20; 2-F-5-CF3 (II), 99°/27. Similarly, 2-chloro-pyridinecarbonitriles afforded 54-88% of the following III (R = CN) derivatives (R and m.p. given): 3-CN, 30°; 4-CN, 33°; 5-CN, 51°; 6-CN, 34°. 3-Bromo-4-chloro-α,α,α-trifluorotoluene heated at 145° for 42 hrs. with excess CuCN and KF in HCONMe2 produced 57% II and 43% I (R = 4-5-Cl-CF3), m. 39°.

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Benzofuran – Wikipedia,
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Recommanded Product: 3939-12-6. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Discovery of isoquinolinone and naphthyridinone-based inhibitors of poly(ADP-ribose) polymerase-1 (PARP1) as anticancer agents: Structure activity relationship and preclinical characterization. Author is Karche, Navnath P.; Bhonde, Mandar; Sinha, Neelima; Jana, Gourhari; Kukreja, Gagan; Kurhade, Sanjay P.; Jagdale, Arun R.; Tilekar, Ajay R.; Hajare, Anil K.; Jadhav, Ganesh R.; Gupta, Nishant R.; Limaye, Rohan; Khedkar, Nilesh; Thube, Baban R.; Shaikh, Javed S.; Rao Irlapati, Nageswara; Phukan, Samiron; Gole, Gopal; Bommakanti, Apparao; Khanwalkar, Harshal; Pawar, Yogesh; Kale, Ramesh; Kumar, Rakesh; Gupta, Rajesh; Praveen Kumar, V. R.; Wahid, Saif; Francis, Albi; Bhat, Tariq; Kamble, Nivrutti; Patil, Vinod; Nigade, Prashant B.; Modi, Dipak; Pawar, Shashikant; Naidu, Sneha; Volam, Harish; Pagdala, Vamsi; Mallurwar, Sadanand; Goyal, Hemant; Bora, Pushpak; Ahirrao, Prajakta; Singh, Minakshi; Kamalakannan, Prabhakaran; Naik, Kumar Ram; Kumar, Pradipta; Powar, Rajendra G.; Shankar, Rajesh B.; Bernstein, Peter R.; Gundu, Jayasagar; Nemmani, Kumar; Narasimham, Lakshmi; George, Kochumalayil Shaji; Sharma, Sharad; Bakhle, Dhananjay; Kamboj, Rajender Kumar; Palle, Venkata P..

The exploitation of GLU988 and LYS903 residues in PARP1 as targets to design isoquinolinone and naphthyridinone analogs is described. Compounds of structure I have good biochem. and cellular potency but suffered from inferior PK. Constraining the linear propylene linker of structure into a cyclopentene ring offered improved PK parameters, while maintaining potency for PARP1. Finally, to avoid potential issues that may arise from the presence of an anilinic moiety, the nitrogen substituent on the isoquinolinone ring was incorporated as part of the bicyclic ring. This afforded a naphthyridinone scaffold, as shown in structure naphthyridinones. Further optimization of naphthyridinone series led to identification of a novel and highly potent PARP1 inhibitor I, which was further characterized as preclin. candidate mol. Compound I is orally bioavailable and displayed favorable pharmacokinetic (PK) properties. Compound I demonstrated remarkable antitumor efficacy both as a single-agent as well as in combination with chemotherapeutic agents in the BRCA1 mutant MDA-MB-436 breast cancer xenograft model. Addnl., compound I also potentiated the effect of agents such as temozolomide in breast cancer, pancreatic cancer and Ewing’s sarcoma models.

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Reference of (R)-Ethyl 4-chloro-3-hydroxybutanoate. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about Stereochemical control of microbial reduction. 17. A method for controlling the enantioselectivity of reductions with bakers’ yeast. Author is Nakamura, Kaoru; Kawai, Yasushi; Nakajima, Nobuyoshi; Ohno, Atsuyoshi.

The stereoselectivity of the bakers’ yeast-catalyzed reduction of β-keto esters to optically active β-hydroxy esters can be controlled by introducing a 3rd reagent. To gain insight into the mechanism of this enzymic reduction, β-hydroxy ester reductases were isolated from bakers’ yeast. Four dominant competing enzymes were isolated, purified, and characterized. Among these, 2 reduced β-keto esters stereospecifically to the corresponding D-β-hydroxy esters. The other 2 afforded the L-hydroxy esters. The rates of enzymic reduction were determined in the presence and absence of the additives.

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Benzofuran – Wikipedia,
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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Scalable biocatalytic synthesis of optically pure ethyl (R)-2-hydroxy-4-phenylbutyrate using a recombinant E. coli with high catalyst yield, published in 2013-12-31, which mentions a compound: 90866-33-4, mainly applied to Escherichia whole cell carbonyl reductase glucose dehydrogenase asym reduction; (R)-2-hydroxy-4-phenylbutanoate; Asymmetric reduction; Biocatalysis; Carbonyl reductase; Coexpression, Application of 90866-33-4.

Et (R)-2-hydroxy-4-phenylbutanoate [(R)-HPBE] is a versatile and important chiral intermediate for the synthesis of angiotensin-converting enzyme (ACE) inhibitors. Recombinant E. coli strain coexpressing a novel NADPH-dependent carbonyl reductase gene iolS and glucose dehydrogenase gene gdh from Bacillus subtilis showed excellent catalytic activity in (R)-HPBE production by asym. reduction IolS exhibited high stereoselectivity (>98.5% ee) toward α-ketoesters substrates, whereas fluctuant ee values (53.2-99.5%) for β-ketoesters with different halogen substitution groups. Strategies including aqueous/organic biphasic system and substrate fed-batch were adopted to improve the biocatalytic process. In a 1-L aqueous/octanol biphasic reaction system, (R)-HPBE was produced in 99.5% ee with an exceptional catalyst yield (gproduct/gcatalyst) of 31.7 via bioreduction of Et 2-oxo-4-phenylbutyrate (OPBE) at 330 g/L.

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Benzofuran – Wikipedia,
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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Design and Identification of a Novel, Functionally Subtype Selective GABAA Positive Allosteric Modulator (PF-06372865).Category: benzofurans.

The design, optimization, and evaluation of a series of novel imidazopyridazine-based subtype-selective pos. allosteric modulators (PAMs) for the GABAA ligand-gated ion channel are described. From a set of initial hits multiple subseries were designed and evaluated based on binding affinity and functional activity. As designing in the desired level of functional selectivity proved difficult, a probability-based assessment was performed to focus the project’s efforts on a single subseries that had the greatest odds of delivering the target profile. These efforts ultimately led to the identification of two precandidates from this subseries, which were advanced to preclin. safety studies and subsequently to the identification of the clin. candidate PF-06372865.

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Name: (R)-Ethyl 4-chloro-3-hydroxybutanoate. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about Asymmetric reduction of ethyl 4-chloroacetoacetate to R-(+)-4-chloro-3-hydroxybutyrate by recombinant Escherichia coli strains. Author is Jing, Li; Lin, Jianping; Xu, Zhinan; Tan, Tianwei; Cen, Peilin.

NADP-dependent aldehyde reductase gene ALR and glucose-6-phosphate dehydrogenase gene gdh223 were cloned from Sporobolomyces salmonicolor and Bacillus megaterium ZJU0310 resp. in Escherichia coli. The recombinant E. coli M15 (pQE30-ALRgdh223) strain was and optimized by investigating the effects of the time of adding isopropylthiogalactoside (IPTG), IPTG concentration and temperature on enzyme activity. Experiment results showed that optimized conditions were IPTG concentration 0.4 mmol/L, 32 °C, 8 h. Under optimized conditions, 5.27 U/mg-protein of enzyme activity was obtained after 8 h cultivation. The asym. reduction of Et 4-chloroacetoacetate to R-(+)-4-chloro-3-hydroxybutyrate was carried out and it was found that the recombinant Escherichia Coli strain could regenerate coenzymes and increase ee. When reaction temperature was increased, product yield was increased, but over 32 °C, product yield was decreased. The reactant had an inhibiting effect on the reaction. The inhibition could be weakened and product yield could be increased by a fed-batch approach.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Riether, Doris; Zindell, Renee; Wu, Lifen; Betageri, Raj; Jenkins, James E.; Khor, Someina; Berry, Angela K.; Hickey, Eugene R.; Ermann, Monika; Albrecht, Claudia; Ceci, Angelo; Gemkow, Mark J.; Nagaraja, Nelamangala V.; Romig, Helmut; Sauer, Achim; Thomson, David S. researched the compound: 6-Fluoronicotinonitrile( cas:3939-12-6 ).HPLC of Formula: 3939-12-6.They published the article 《Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based compounds》 about this compound( cas:3939-12-6 ) in Bioorganic & Medicinal Chemistry Letters. Keywords: proline based compound oxazole derivative preparation CB2 receptor agonist; structure activity relationship proline based compound cannabinoid receptor selectivity; pharmacokinetic properties proline based compound aryl oxazolyl derivative; Cannabinoid receptor 2 (CB2); Metabolic stability; Pharmacokinetic properties; Proline; Solubility. We’ll tell you more about this compound (cas:3939-12-6).

Through a ligand-based pharmacophore model (S)-proline based compounds were identified as potent cannabinoid receptor 2 (CB2) agonists with high selectivity over the cannabinoid receptor 1 (CB1). Structure-activity relationship investigations for this compound class lead to oxo-proline compounds I and II which combine an impressive CB1 selectivity profile with good pharmacokinetic properties. In a streptozotocin induced diabetic neuropathy model, II demonstrated a dose-dependent reversal of mech. hyperalgesia.

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Benzofuran – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 90866-33-4, is researched, Molecular C6H11ClO3, about Chiral alcohol synthesis with yeast carbonyl reductases, the main research direction is chlorohydroxybutanoate asym preparation carbonyl reductase; asym reduction chloroacetoacetate carbonyl reductase; aldehyde reductase asym reduction chloroacetoacetate; alc chiral asym preparation reductase.HPLC of Formula: 90866-33-4.

Synthesis of chiral alcs., (R)- and (S)-Et 4-chloro-3-hydroxybutanoate (CHBE), was performed by enzymic asym. reduction of Et 4-chloroacetoacetate (CAAE). The enzymes reducing CAAE to (R)- and (S)-CHBE were found to be produced by Sporobolomyces salmonicolor and Candida magnoliae, resp. The enzyme of S. salmonicolor is a novel NADPH-dependent aldehyde reductase (AR) belonging to the aldo-keto reductase superfamily. The C. magnoliae enzyme also seems to be a novel NADPH-dependent carbonyl reductase. When AR-overproducing Escherichia coli transformant cells or C. magnoliae cells were incubated in an organic solvent-water two-phase system, 300 or 90 mg/mL of CAAE was almost stoichiometrically converted to (R)- or (S)-CHBE (>92% e.e.), resp.

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Benzofuran – Wikipedia,
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