Category: 638-07-3

Asymmetric reduction of 2-chloro-3-oxo-ester into enantiomerically high pure diltiazem precursor by a Candida ketoreductase was written by Chen, Cheng;Xuan, Yang;Chen, Qi;Ni, Guo-Wei;Pan, Jiang;Xu, Jian-He. And the article was included in Molecular Catalysis in 2021.Formula: C6H9ClO3 The following contents are mentioned in the article:

Me (2R,3S)-3-(4-methoxyphenyl)glycidate [(2R,3S)-MPGM] is an advanced chiral synthon for the synthesis of the cardiovascular drug diltiazem. It can be easily accessed by cyclizing the reduction products of Me 2-chloro-3-(4-methoxyphenyl)-3-oxo-propanoate. Herein, we report an identified carbonyl reductase (CpKR) from Candida parapsilosis that displayed an excellent stereoselectivity toward the keto substituent at the C₃-position of the 2-chloro-3-oxo-ester. The engineered Escherichia coli cells harboring CpKR gene were directly applied for the asym. reduction of keto ester 1a with a space-time yield of 46 g L^-1 d^-1, which represents the highest productivity in bio-reduction reported so far. The isolated chiral alc. products were then applied to the chem. synthesis of (2R,3S)-MPGM in 99% ee and a total yield of 76% in the two-step chemo-enzymic reactions, which far exceeded the maximum theor. yield (50%) of the existing industrial process based on a lipase-catalyzed resolution of racemic MPGM. This work provides a promising eco-friendly and cost-effective route toward industrial synthesis of pharmaceutically relevant diltiazem. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Formula: C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Formula: C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Single-Point Mutant Inverts the Stereoselectivity of a Carbonyl Reductase toward β-Ketoesters with Enhanced Activity was written by Li, Aipeng;Wang, Ting;Tian, Qing;Yang, Xiaohong;Yin, Dongming;Qin, Yong;Zhang, Lianbing. And the article was included in Chemistry – A European Journal in 2021.Related Products of 638-07-3 The following contents are mentioned in the article:

Enzyme stereoselectivity control is still a major challenge. To gain insight into the mol. basis of enzyme stereo-recognition and expand the source of antiPrelog carbonyl reductase toward β-ketoesters, rational enzyme design aiming at stereoselectivity inversion was performed. The designed variant Q139G switched the enzyme stereoselectivity toward β-ketoesters from Prelog to antiPrelog, providing corresponding alcs. in high enantiomeric purity (89.1-99.1% ee). More importantly, the well-known trade-off between stereoselectivity and activity was not found. Q139G exhibited higher catalytic activity than the wild-type enzyme, the enhancement of the catalytic efficiency (k_cat/K_m) varied from 1.1- to 27.1-fold. Interestingly, the mutant Q139G did not lead to reversed stereoselectivity toward aromatic ketones. Anal. of enzyme-substrate complexes showed that the structural flexibility of β-ketoesters and a newly formed cave together facilitated the formation of the antiPrelog-preferred conformation. In contrast, the relatively large and rigid structure of the aromatic ketones prevents them from forming the antiPrelog-preferred conformation. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Related Products of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Related Products of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Substitutional effects on the reactivity and thermal stability of dihydropyrimidinones was written by Adigun, Rasheed A.;Malan, Frederick P.;Balogun, Mohammed O.;October, Natasha. And the article was included in Journal of Molecular Structure in 2021.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

One of the advantages of dihydropyrimidinones (DHPMs) is the mol. diversity that could be achieved through their synthesis from a three-component reaction by varying the starting reaction materials. Differences in substituted functional groups could lead to varying reactivities and thermal stability amongst the analogs. In this study, two different classes of DHPMs were synthesized and the effects of the various substituents on the DHPM ring were investigated. The compounds were structurally characterized using single-crystal X-ray diffractometry, ¹H, ¹³C, COSY, HSQC and HMBC NMR techniques, FT-IR and High Resolution Mass Spectrometry (HRMS). N1 methylation of the DHPM was found to increase the thermal stability of the series of DHPMs investigated, which is an added advantage in thermal reactions. The nature of the alkyl substituent of the ester group at position 5 of the DHPM was also found to affect the ease of the nucleophilic substitution reaction during the functionalization of the DHPMs. A complementary DFT study aided in understanding the above results as well as to compare the general stability of the range of compounds This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chemoenzymatic catalysis of tert-butyl 6-cyano-(3R,5R)-dihydroxyhexanoate by aldo-keto reductase coupled with composite Fe₃O₄ nanozyme scaffold was written by Qiu, Shuai;Xu, Shen-Yuan;Wang, Ya-Jun;Zheng, Yu-Guo. And the article was included in Chemical Engineering Science in 2022.Electric Literature of C6H9ClO3 The following contents are mentioned in the article:

Cofactor NADPH is widely used in enzymic redox reactions, however, its regeneration by glucose dehydrogenase (GDH) suffers from massive glucose consumption, costly wastewater treatment, and low atom efficiency. Herein, Fe3O4 nanoparticles supported on helical multi-walled carbon nanotubes (Fe3O4@HMWCNTs) was prepared and displayed comparable transfer hydrogenation activity to Exiguobacterium sibiricum GDH (EsGDH). We developed a chemoenzymic catalysis based on a combination of an aldo-keto reductase KmAKR with Fe3O4@HMWCNTs scaffold, which asym. synthesized optically pure tert-Bu 6-cyano-(3R,5R)-dihydroxyhexanoate ((3R,5R)-2, > 99.5% dep). Under the optimized conditions, 10 mM NADP+ was converted to NADPH by 5.0 mg Fe3O4@HMWCNTs, in a yield of > 80.0%. The combination of Fe3O4@HMWCNTs with KmAKRM7 completely reduced 10 mM tert-Bu 6-cyano-(5R)-hydroxy-3-oxohexanoate ((5R)-1) to (3R,5R)-2, in a conversion of > 99.0% and dep > 99.5%. Contrast to the previous developed biocatalytic approach with KmAKR and EsGDH, this efficient and compatible nanozyme-enzyme process required neither glucose/alcs. as co-substrate nor a glucose dehydrogenase/alc. dehydrogenase for NADPH regeneration. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Electric Literature of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Electric Literature of C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Establishment of a Customizable Fluorescent Probe Platform for the Organelle-Targeted Bioactive Species Detection was written by Qiao, Dan;Li, Landie;Shen, Tangliang;Yang, Jiejie;Chang, Hao;Liang, Xiao;Zhang, Lu;Wang, Qianqian;Liu, Ning;Zhao, Wei;Shang, Luqing. And the article was included in ACS Sensors in 2020.Recommanded Product: 638-07-3 The following contents are mentioned in the article:

A customizable fluorescent probe platform that can be used to detect various bioactive analytes offers significant potential for engineering a wide range of bioprobes with diverse sensing and imaging functions. Here, the authors show a facile and innovative strategy for introducing cis-amino-proline as a carrier scaffold, which is appended with three specific functional groups: a target group, a water-soluble group, and fluorophores with triggers. The potency of the designed strategy could be customized to generate variable multifunctional fluorescent probes for detecting bioactive species of interest, including reactive oxygen species (ROS), reactive nitrogen species (RNS), reactive sulfur species (RSS), ROS/RSS, and even enzymes. The authors designed and synthesized five representative water-soluble and organelle-targeted compounds, PMB, PMN, PMD, PRB, and PME, with emission wavelengths of these fluorescent probes varying from blue to red (465, 480, 535, 550, 565, and 640 nm). This strategy could be exemplified by its application to develop a mitochondria-/lysosome-targeting multifunctional fluorescent probe capable of imaging bioactive species of interest in live cells and nude mice. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dihydropyrimidinone imidazoles as unique structural antibacterial agents for drug-resistant gram-negative pathogens was written by Yang, Xi;Sun, Hang;Maddili, Swetha Kameswari;Li, Shuo;Yang, Ren-Guo;Zhou, Cheng-He. And the article was included in European Journal of Medicinal Chemistry in 2022.Computed Properties of C6H9ClO3 The following contents are mentioned in the article:

The health crisis caused by severe multidrug resistance increasingly compels the exploitation of new alternative antibacterial drugs. A library of structurally unique dihydropyrimidinone imidazoles as novel potential antibacterial agents was developed with the aim to confront drug resistance. Some target compounds exhibited strong antibacterial activities, especially, sulfamethoxazole hybridized dihydropyrimidinone imidazole 8b was found to be extremely active against multidrug-resistant K. pneumonia and A. baumanii at a low concentration of 0.5 μg/mL, which outperformed norfloxacin even clinafloxacin. This active compound not only exhibited low cytotoxicity to mammalian cells (human red blood cells, HepG2 and ECs), but also possessed rapid bactericidal property, good biofilm inhibition ability, and a low propensity to induce K. pneumonia and A. baumanii resistance. Further studies revealed that the inhibitory effect of the active compound 8b might be achieved by disrupting membrane integrity, increasing ROS generation, reducing GSH activity and interacting with DNA. These findings provided a bright hope for developing dihydropyrimidinone imidazoles to combat emergent drug resistance. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Computed Properties of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Computed Properties of C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Substrate selectivity and kinetic studies of (S)-specific alcohol dehydrogenase purified from Candida parapsilosis ATCC 7330 was written by Pinto, Jerrina;Chadha, Anju;Gummadi, Sathyanarayana N.. And the article was included in Biocatalysis and Agricultural Biotechnology in 2022.Electric Literature of C6H9ClO3 The following contents are mentioned in the article:

Biocatalytic reduction catalyzed by alc. dehydrogenases is a valuable tool for asym. synthesis of chiral alcs. This study reports the broad substrate specificity of NADH dependent (S) – specific alc. dehydrogenase (S-ADH) purified from Candida parapsilosis ATCC 7330. The substrates for this enzyme include aliphatic and aromatic ketones, cyclic and diketones, aldehydes, ketoesters, primary and secondary alcs. The kinetic studies of different substrates indicate that ketones and secondary alcs. are the most preferred substrates of S-ADH with highest catalytic efficiencies reported for reduction of acetone (4153 s-1mM-1) and oxidation of 2-propanol (1358 s-1mM-1). The double reciprocal plots obtained for varied concentrations of acetophenone (0.2-16 mM) at a fixed concentration of NADH (0.05, 0.1 and 0.2 mM) and with varied concentrations of NADH (0.01-0.2 mM) at a fixed concentration of acetophenone (1, 4, 8 and 16 mM) showed intersecting lines indicating sequential kinetic mechanism. S-ADH follows Prelog’s stereopreference in reducing prochiral carbonyl substrates to yield (S)-alcs. with >99% enantiomeric excess using a simple coupled substrate approach for cofactor recycling. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Electric Literature of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Electric Literature of C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Amino Acids Bearing Aromatic or Heteroaromatic Substituents as a New Class of Ligands for the Lysosomal Sialic Acid Transporter Sialin was written by Dubois, Lilian;Pietrancosta, Nicolas;Cabaye, Alexandre;Fanget, Isabelle;Debacker, Cecile;Gilormini, Pierre-Andre;Dansette, Patrick M.;Dairou, Julien;Biot, Christophe;Froissart, Roseline;Goupil-Lamy, Anne;Bertrand, Hugues-Olivier;Acher, Francine C.;McCort-Tranchepain, Isabelle;Gasnier, Bruno;Anne, Christine. And the article was included in Journal of Medicinal Chemistry in 2020.Application of 638-07-3 The following contents are mentioned in the article:

Sialin, encoded by the SLC17A5 gene, is a lysosomal sialic acid transporter defective in Salla disease, a rare inherited leukodystrophy. It also enables metabolic incorporation of exogenous sialic acids, leading to autoantibodies against N-glycolylneuraminic acid in humans. Here, we identified a novel class of human sialin ligands by virtual screening and structure-activity relationship studies. The ligand scaffold is characterized by an amino acid backbone with a free carboxylate, an N-linked aromatic or heteroaromatic substituent, and a hydrophobic side chain. The most potent compound, 45 (LSP12-3129), inhibited N-acetylneuraminic acid 1 (Neu5Ac) transport in a non-competitive manner with IC₅₀ â‰?2.5μM, a value 400-fold lower than the K_M for Neu5Ac. In vitro and mol. docking studies attributed the non-competitive character to selective inhibitor binding to the Neu5Ac site in a cytosol-facing conformation. Moreover, compound 45 rescued the trafficking defect of the pathogenic mutant (R39C) causing Salla disease. This new class of cell-permeant inhibitors provides tools to investigate the physiol. roles of sialin and help develop pharmacol. chaperones for Salla disease. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Application of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Molecular modeling and docking studies of new antioxidant pyrazole-thiazole hybrids was written by Alia Abdulaziz Alfi;Alharbi, Arwa;Qurban, Jihan;Abualnaja, Matokah M.;Abumelha, Hana M.;Saad, Fawaz A.;El-Metwaly, Nashwa M.. And the article was included in Journal of Molecular Structure in 2022.Reference of 638-07-3 The following contents are mentioned in the article:

The phenoxyacetamide moiety was used as a link bridge in the synthesis of a series of novel pyrazole-integrated thiazole derivs I, II [Ar = 4-ClC₆H₄] and III [R¹ = Me, CH₂CO₂Et, 4-ClC₆H₄; R² = H, C(O)Me]. The condensation of the precursor 2-(4-formylphenoxy)-N-(3-methyl-1H-pyrazol-5-yl)acetamide with thiosemicarbazide resulted in the formation of the corresponding thiosemicarbazone, which reacted with several α-halogenated carbonyl reagents, to afford the targeted pyrazole-thiazole derivs I, II and III. The geometrically optimized structures, in addition to the HOMO-LUMO configuration and energies of the investigated compounds I, II and III, were obtained from DFT calculations Also, the synthesized pyrazolyl-thiazole compounds I, II and III were tested to appraise their antioxidant activity. The theor. studies through mol. docking were carried out to imitate their antioxidant reactivity for the produced pyrazole-thiazole derivatives This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Reference of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Reference of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

A turn-on fluorescence-based fibre optic sensor for the detection of mercury was written by Nguyen, T. Hien;Sun, Tong;Grattan, Kenneth T. V.. And the article was included in Sensors in 2019.Synthetic Route of C6H9ClO3 The following contents are mentioned in the article:

The design, development, and evaluation of an optical fiber sensor for the detection of Hg2+ in aqueous media are discussed in detail in this paper. A novel fluorescent polymeric material for Hg2+ detection, based on a coumarin derivative (acting as the fluorophore) and an azathia crown ether moiety (acting as the mercury ion receptor), has been synthesized. The fluorophore was covalently immobilized onto the fiber surface by polymerization using the ion imprinting technique and exhibited a significant increase in fluorescence intensity in response to Hg2+ via a photoinduced electron transfer (PET) mechanism. The sensor provided a response over a concentration range of 0-28μM with an acceptable response rate of around 11 min and a recovery rate of around 30 min in a Tris-EDTA buffer solution A detection limit of 0.15μM was obtained with a possibility of improvement by changing the thickness of the polymer layer and using a more sensitive detector. High-quality performance is seen through a high selectivity for Hg2+ over other metal ions, excellent photo-stability and reversibility which was also demonstrated, making this type of sensor potentially well suited for in-situ monitoring of mercury in the environment. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Synthetic Route of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Synthetic Route of C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics