Category: 638-07-3

Deep eutectic solvents as media in alcohol dehydrogenase-catalyzed reductions of halogenated ketones was written by Ibn Majdoub Hassani, Fatima Zohra;Amzazi, Saaid;Kreit, Joseph;Lavandera, Ivan. And the article was included in ChemCatChem in 2020.Computed Properties of C6H9ClO3 The following contents are mentioned in the article:

The application of deep eutectic solvents (DESs) in biotechnol. processes has gained an outstanding relevance, as they can be used as greener media to obtain higher productivities and selectivities. In the present contribution, an eutectic mixture composed of choline chloride (ChCl): glycerol (1 : 2 mol/mol) has been used as a reaction medium in combination with Tris-SO₄ 50 mM buffer pH 7.5, applied to the alc. dehydrogenase (ADH)-catalyzed reduction of various carbonyl precursors of chiral halohydrins. These alcs. are key intermediates of biol. active compounds, and hence they are of industrial interest. In the presence of up to 50% volume/volume of DES, these biotransformations were achieved up to 300-400 mM of the α-halogenated ketone substrate, getting access to the final compounds with excellent conversions (usually >90%) and enantiomeric excess (ee >99%). Among the different ADHs tested, two stereocomplementary enzymes (Lactobacillus brevis ADH and Rhodococcus ruber ADH) afforded the best results, so both alc. enantiomers could be obtained in all the studied examples. Selected bioredns. were scaled up to 250 mg and 1 g, demonstrating the potential that DESs can offer as media in redox processes for substrates with low solubility in water. 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. 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. 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.Computed Properties of C6H9ClO3

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

Highly efficient synthesis of pharmaceutically relevant chiral 3-N-substituted-azacyclic alcohols using two enantiocomplementary short chain dehydrogenases was written by Yang, Lin;Zhang, Yiping;Liu, Yan;Wang, Hualei;Wei, Dongzhi. And the article was included in Biochemical Engineering Journal in 2022.Related Products of 638-07-3 The following contents are mentioned in the article:

Two stereocomplementary alc. dehydrogenases from Flavobacterium psychrophilum (FpADH) and Flavobacterium sp. was reported. (FsADH), which showed the potential industrial application in highly efficient synthesis of a series of enantiomerically pure 3-N-substituted-azacyclic alochols. Both the enzymes showed high catalytic activity toward the model substrate N-Boc-4-piperidone (NBPO) and presented a strict enantioselectivity for the corresponding alc. products. In addition, both enzymes showed broad substrate scope, including ketoesters, acryl ketones and heterocyclic ketones. Using glucose dehydrogenase coexpressed with each of the enzymes to realize the efficient coenzyme recycling, various pharmaceutically relevant chiral 3-N-Boc azacyclic alcs. were asym. synthesized at high substrate concentrations (343.7-643.8 g/L) and low equilvelent of NADP⁺ (0.1 mM) with excellent enantioselectivity (> 99.5% e.e), which have met the requirements of biocatalytic processes in the industry and demonstrated the feasibility of FpADH and FsADH for industrial application in the biotransformation of chiral 3-N-substituted-azacyclic alcs. The mol. basis of the enantioselectivity and catalytic efficiency of both enzymes were revealed the by mol. docking and MD simulation anal. 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. 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.Related Products of 638-07-3

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

Design, synthesis, and photochemical properties of clickable caged compounds was written by Suzuki, Akinobu Z.;Shiraishi, Yukiko;Aoki, Hanami;Sasaki, Hirona;Watahiki, Rei;Furuta, Toshiaki. And the article was included in Journal of Visualized Experiments in 2019.Related Products of 638-07-3 The following contents are mentioned in the article:

A method for the synthesis of clickable caged compounds I [R = 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl, 2-(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethoxy)ethyl] that can be modified easily with various functional units via the copper(I)-catalyzed Huisgen cyclization was reported. The modular platform mol. contains a (6-bromo-7-hydroxycoumarin-4-yl)methyl (Bhc) group as a photo-caging group, which exhibits a high photolysis efficiency compared to those of the conventional 2-nitrobenzyls. General procedures for the preparation of clickable caged compounds containing amines II [R¹ = (6-{[(tert-butoxy)carbonyl]amino}hexyl)aminyl], alcs. I [R = prop-2-yn-1-yl], and carboxylates II [R¹ = (4Z,7Z,10Z,12Z)-octadeca-4,7,10,12-tetraen-1-yl] are presented. Addnl. properties such as the water solubility and cell targeting ability can be readily incorporated into clickable caged compounds I. Furthermore, the phys. and photochem. properties, including the photolysis quantum yield, were measured and found to be superior to those of the corresponding Bhc caged compounds The described protocol could therefore be considered a potential solution for the lack of structural diversity in the available caged compounds 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. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. 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.Related Products of 638-07-3

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

Synthesis and biological evaluation of morpholines linked coumarin-triazole hybrids as anticancer agents was written by Goud, Nerella Sridhar;Pooladanda, Venkatesh;Mahammad, Ghouse S.;Jakkula, Pranay;Gatreddi, Santhosh;Qureshi, Insaf A.;Alvala, Ravi;Godugu, Chandraiah;Alvala, Mallika. And the article was included in Chemical Biology & Drug Design in 2019.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

A series of novel morpholines linked coumarin-triazole hybrids (6a-6v) has been synthesized and evaluated for their anti-proliferative potential on a panel of five human cancer cell lines, namely bone (MG-63), lung (A549), breast (MDA-MB-231), colon (HCT-15) and liver (HepG2), using MTT assay. Among all, the compound 6n {7-((1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl) methoxy)-4-((2,6-dimethylmorpholino) methyl)-2H-chromen-2-one} showed significant growth inhibition against MG-63 cells with an IC₅₀ value of 0.80 ± 0.22μM. Further, induction of apoptosis by 6n of MG-63 cells confirmed as a result of morphol. changes, the sub-G1 phase arrest, increased percentage of apoptotic cells, and decrease in mitochondrial membrane potential and increase in reactive oxygen species levels. The in vitro Gal-1 expression in cell culture supernatant of MG-63 cells treated with compound 6n showed dose-dependent reduction The binding constant (K_a) of 6n with Gal-1 was calculated from the intercept value which was observed as 3.0 × 10⁵ M^-1 by fluorescence spectroscopy. Surface plasmon resonance showed that 6n binds to Gal-1 with binding constant (K_a) of 1.29E+04 1/Ms and equilibrium constant KD value of 7.54E-07 M, resp. Mol. docking studies revealed the binding interactions of 6n with Gal-1. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Safety of Ethyl 4-chloro-3-oxobutanoate).

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.Safety of Ethyl 4-chloro-3-oxobutanoate

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

Amino-modified Merrifield resins as recyclable catalysts for the safe and sustainable preparation of functionalized α-diazo carbonyl compounds was written by Fantinel, Mariane;Valiati, Nayara;Moro, Pedro A. M.;Sa, Marcus M.. And the article was included in Tetrahedron in 2021.Formula: C6H9ClO3 The following contents are mentioned in the article:

Amino-functionalized polystyrene polymers derived from Merrifield resins were prepared and characterized. These basic materials were successfully employed as heterogeneous catalysts in the diazo transfer reaction to 1,3-dicarbonyl compounds R¹C(O)CH₂C(O)R² [R¹ = R² = Me, Ph, MeO; R¹ = Me, R² = Ph; R¹ = Me, Et, ClCH₂, Ph, etc., R² = EtO; R¹R² = (CH₂)₃, OCMe₂O, etc.] furnishing the corresponding diazo compounds R¹C(O)C(:N₂)C(O)R² in good to excellent yields and in relatively short reaction times. In addition, the work-up and purification protocols are simple and do not generate large amounts of waste, which are important features in sustainable catalysis and environmentally benign processes. The feasibility of the recovery and reuse of the amino-modified catalysts were also verified, since they can be employed up to five times without appreciable loss of catalytic activity. This straightforward procedure can be readily scaled up to gram scale, enabling the wide application of this method. The synthetic potential was demonstrated through the two-step preparation of 2-amino-N-dodecylacetamide (ANDA), a small mol. of com. relevance. 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. 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.Formula: C6H9ClO3

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

Multifunctional waterborne polyurethane films: Amine-response, thermal-driven self-healing and recyclability was written by Sai, Futao;Zhang, Haitao;Qu, Jianbo;Wang, Jianyong;Zhu, Xiuzhong;Bai, Yang;Ye, Peng. And the article was included in Applied Surface Science in 2022.Synthetic Route of C6H9ClO3 The following contents are mentioned in the article:

Currently, the preparation and application of functional waterborne polyurethane has become a research hotspot in the field of polyurethane. In the present work, different weight ratios of diacetyl oxime and coumarin diol were used as the reactive filler with isophorone diisocyanate (IPDI) and polypropylene glycol (PPG) to prepare superior amine-response, self-healing and recyclable waterborne polyurethane films (WPU-x). Dynamic mech. anal. was carried out to identify the self-healing properties of WPU-x. It was revealed that the WPU-2 film showed an excellent self-healing capability based on the combination of the mobility of the soft segment, dynamic reaction of oxime carbamate bond and hydrogen bonds, and the mech. properties self-healing efficiency can reach 91.11% after self-healing at 90°C for 7 h. UV testing and fluorescence imaging results showed that WPU-2 film exhibit a rapid and concentration-dependent response to dimethylamine (DMA), and it also showed varying degrees of response to other organic amines. The WPU-2 film could be readily applied in cold chain transportation of shrimp and fish for real-time and visual monitoring the freshness of seafoods. At the same time, the WPU-2 film could be recycled via hot-pressing and solution casting. Therefore, this strategy provides some insights for preparing multi-functional waterborne polyurethane. 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Synthetic Route of C6H9ClO3

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

Small-molecule inhibitors of ferrochelatase are antiangiogenic agents was written by Sishtla, Kamakshi;Lambert-Cheatham, Nathan;Lee, Bit;Han, Duk Hee;Park, Jaehui;Sardar Pasha, Sheik Pran Babu;Lee, Sanha;Kwon, Sangil;Muniyandi, Anbukkarasi;Park, Bomina;Odell, Noa;Waller, Sydney;Park, Il Yeong;Lee, Soo Jae;Seo, Seung-Yong;Corson, Timothy W.. And the article was included in Cell Chemical Biology in 2022.SDS of cas: 638-07-3 The following contents are mentioned in the article:

Activity of the heme synthesis enzyme ferrochelatase (FECH) is implicated in multiple diseases. In particular, it is a mediator of neovascularization in the eye and thus an appealing therapeutic target for preventing blindness. However, no drug-like direct FECH inhibitors are known. Here, we set out to identify small-mol. inhibitors of FECH as potential therapeutic leads using a high-throughput screening approach to identify potent inhibitors of FECH activity. A structure-activity relationship study of a class of triazolopyrimidinone hits yielded drug-like FECH inhibitors. These compounds inhibit FECH in cells, bind the active site in cocrystal structures, and are antiangiogenic in multiple in vitro assays. One of these promising compounds was antiangiogenic in vivo in a mouse model of choroidal neovascularization. This foundational work may be the basis for new therapeutic agents to combat not only ocular neovascularization but also other diseases characterized by FECH activity. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3SDS of cas: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. 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.SDS of cas: 638-07-3

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

Design, synthesis, bioactivity, and DFT calculation of 2-thiazolyl-hydrazone derivatives as influenza neuraminidase inhibitors was written by Cui, Man-Ying;Nie, Jian-Xia;Yan, Zhong-Zhong;Xiao, Meng-Wu;Lin, Ding;Ye, Jiao;Hu, Ai-Xi. And the article was included in Medicinal Chemistry Research in 2019.COA of Formula: C6H9ClO3 The following contents are mentioned in the article:

Three series of thiazolylhydrazone derivatives were designed, synthesized, and evaluated for their neuraminidase (NA) inhibitory activity against influenza virus H1N1 in vitro. Compounds 1 and 2 were synthesized via the one-pot reaction and compound 3 was synthesized in two steps. Pharmacol. results showed that the majority of the target compounds 1, 2, and 3 exhibited moderate-to-good influenza NA inhibitory activity. The NA inhibitory activity of the most active compound 2g(I) (IC₅₀ = 7.12 μg/mL) is better than that of the lead compound A. Mol. docking was performed to study the possible interactions between I and the active site of NA. On the basis of biol. results, a preliminary structure-activity relationship (SAR) was derived and discussed. Moreover, d. functional theory (DFT) calculation was also performed to explain why the thiazolylhydrazone skeleton has NA inhibitory activity, especially I with the most potent inhibitory activity. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3COA of Formula: C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. 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.COA of Formula: C6H9ClO3

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

Synthesis and biological evaluation of novel 4,7-disubstituted coumarins as selective tumor-associated carbonic anhydrase IX and XII inhibitors was written by Chandra, K. Muni;Goud, Nerella Sridhar;Arifuddin, Mohammed;Alvala, Mallika;Alvala, Ravi;Angeli, Andrea;Supuran, Claudiu T.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2021.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

With an aim to develop novel potential anti-cancer agents we have designed, synthesized and evaluated a series of novel 4,7-disubstituted coumarin hybrids for their inhibitory activity against the human carbonic anhydrase isoforms namely CA I, CA II, CA IX and CA XII. The results of CA inhibition clearly showed that the novel 4, 7-disubstituted coumarin hybrids exhibited selective inhibition towards tumor associated isoforms, CA IX and CA XII without inhibiting CA I and CA II isoforms. Among all the compound 8b (I) showed a significant inhibition against hCA IX with a K_i of 0.58μM whereas, the compound 7c (II) showed a significant inhibition against hCA XII with a K_i of 0.36μM resp. All other compounds have shown a good inhibition against hCA IX and hCA XII over hCA I and hCA II within the range of 0.46 to 9.35μM. Therefore, compound 8b and 7c would be the potential leads for developing selective cytotoxic agents targeting hCA IX and XII. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Safety 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. 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.Safety of Ethyl 4-chloro-3-oxobutanoate

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

Structural optimization of aminopyrimidine-based CXCR4 antagonists was written by Zhu, Fang;Wang, Yujie;Du, Qian;Ge, Wenxiang;Li, Zhanhui;Wang, Xu;Fu, Chunyan;Luo, Lusong;Tian, Sheng;Ma, Haikuo;Zheng, Jiyue;Zhang, Yi;Sun, Xiaotian;He, Sudan;Zhang, Xiaohu. And the article was included in European Journal of Medicinal Chemistry in 2020.SDS of cas: 638-07-3 The following contents are mentioned in the article:

Structural optimization of aminopyrimidine-based CXCR4 antagonists is reported. The optimization is guided by mol. docking studies based on available CXCR4-small mol. crystal complex. The optimization identifies a number of compounds with improved receptor binding affinity and functional activity exemplified by compound 23 (inhibition of APC-conjugate clone 12G5 for CXCR4 binding in a cell based assay: IC₅₀ = 8.8 nM; inhibition of CXCL12 induced cytosolic calcium increase: IC₅₀ = 0.02 nM). In addition, compound 23 potently inhibits CXCR4/CXLC12 mediated chemotaxis in a matrigel invasion assay. Furthermore, compound 23 exhibits good physicochem. properties (MW 367, clogP 2.1, PSA 48, pKa 7.2) and in vitro safety profiles (marginal/moderate inhibition of CYP isoenzymes and hERG). These results represent significant improvement over the initial hit from scaffold hybridization and suggest that compound 23 can be used as a starting point to support lead optimization. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3SDS of cas: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.SDS of cas: 638-07-3

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