Category: 638-07-3

An efficient green approach for the synthesis of benzothiazole-linked pyranopyrazoles as promising pharmacological agents and docking studies was written by Mallikarjuna Reddy, Guda;Raul Garcia, Jarem;Venkata Subbaiah, Munagapati;Wen, Jet-Chau. And the article was included in Journal of Heterocyclic Chemistry in 2021.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

Benzothiazole-tethered pyranopyrazoles derivatives I [R = H, 2-Cl, 4-O₂N, etc.] were prepared via environmentally favorable conditions, which included eco-friendly catalyst, ethanol-water solvent, one-pot reaction, and atom- and step-economy procedures. Excellent yield of the products was observed Besides, all products were screened for their antimicrobial behavior. From the biol. results, it was seen that most of the compounds possessed high to moderate antimicrobial properties. Compound I [R = 2-Me] gave prominent antimicrobial property followed by I [R = H, 2-MeO, 4-HO]. In addition, computer-aided studies of the active compounds were also conducted. In this, selected compounds were docked into the intercalation site of DNA of the DNA-gyrase complex. From these results, the highest binding energy of -10.1 kcal/mol was for I [R = 2-Me] against DNA-gyrase. This is the first eco-friendly synthetic method for the preparation of benzothiazole-pyranopyrazoles and the synthetic effort in this study may serve as a model for addnl. environmentally benign reactions. The biol. results may prompt further studies related to antibiotic drugs. 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. 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.Safety of Ethyl 4-chloro-3-oxobutanoate

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

Discovery of 1,3,4-oxadiazol-2-one-containing benzamide derivatives targeting FtsZ as highly potent agents of killing a variety of MDR bacteria strains was written by Bi, Fangchao;Song, Di;Qin, Yinhui;Liu, Xingbang;Teng, Yuetai;Zhang, Na;Zhang, Panpan;Zhang, Nan;Ma, Shutao. And the article was included in Bioorganic & Medicinal Chemistry in 2019.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The spread of infections caused by multidrug-resistant (MDR) pathogens, such as methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant S. aureus (VRSA), has created a need for new antibiotics with novel mechanisms of action. The bacterial division protein FtsZ has been identified as a novel drug target that can be exploited clin. As part of an ongoing effort to develop FtsZ-targeting antibacterial agents, we describe herein the design, synthesis and bioactivity of six series of novel 1,3,4-oxadiazol-2-one-containing, 1,2,4-triazol-3-one-containing and pyrazolin-5-one-containing benzamide derivatives Among them, the most potent antibacterial agent was identified and was much better than clin. drugs such as ciprofloxacin, linezolid, and erythromycin against all the tested gram-pos. strains, particularly methicillin-resistant, penicillin-resistant and clin. isolated S. aureus. Subsequent studies on biol. activities and docking analyses proved that it functioned as an effective compound targeting FtsZ. Preliminary SAR indicated a general direction for further optimization of these novel analogs. Taken together, this research provides a promising chemotype for developing newer FtsZ-targeting bactericidal agents. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Category: chlorides-buliding-blocks).

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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Category: chlorides-buliding-blocks

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

Targeting of GLUT5 for transporter-mediated drug-delivery is contingent upon substrate hydrophilicity was written by Nahrjou, Nazanin;Ghosh, Avik;Tanasova, Marina. And the article was included in International Journal of Molecular Sciences in 2021.Name: Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

Specific link between high fructose uptake and cancer development and progression highlighted fructose transporters as potential means to achieve GLUT-mediated discrimination between normal and cancer cells. The gained expression of fructose-specific transporter GLUT5 in various cancers offers a possibility for developing cancer-specific imaging and bioactive agents. Herein, we explore the feasibility of delivering a bioactive agent through cancer-relevant fructose-specific transporter GLUT5. We employed specific targeting of GLUT5 by 2,5-anhydro-D-mannitol and investigated several drug conjugates for their ability to induce cancer-specific cytotoxicity. The proof-of-concept anal. was carried out for conjugates of chlorambucil (CLB) in GLUT5-pos. breast cancer cells and normal breast cells. The cytotoxicity of conjugates was assessed over 24 h and 48 h, and significant dependence between cancer-selectivity and conjugate size was observed The differences were found to relate to the loss of GLUT5-mediated uptake upon increased conjugate size and hydrophobicity. The findings provide information on the substrate tolerance of GLUT5 and highlight the importance of maintaining appropriate hydrophilicity for GLUT-mediated delivery. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Name: Ethyl 4-chloro-3-oxobutanoate).

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. 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.Name: Ethyl 4-chloro-3-oxobutanoate

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

Fe₃O₄@C@OSO₃H as an efficient, recyclable magnetic nanocatalyst in Pechmann condensation: green synthesis, characterization, and theoretical study was written by Samiei, Zahra;Soleimani-Amiri, Somayeh;Azizi, Zahra. And the article was included in Molecular Diversity in 2021.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

Novel sulfonated carbon-coated magnetic nanoparticles (SCCMNPs; Fe₃O₄@C@OSO₃H) were designed, synthesized, characterized, and applied as an efficient nanocatalyst for green synthesis of coumarin derivatives through Pechmann condensation. The Fe₃O₄@C@OSO₃H was manufactured through a simple and inexpensive two-step procedure and characterized by FTIR, EDX, XRD, SEM, TEM, DLS, VSM, and TGA techniques. It was identified as an efficient heterogeneous catalyst in the Pechmann condensation of phenol derivatives and β-ketoesters, leading to high-yield coumarin derivatives under solvent-free conditions. The Fe₃O₄@C@OSO₃H removed after reaction finishing point by an external magnet, and it was reused fifteen times at the same conditions. Besides, theor. studies were carried out using B3LYP/6-311++G(d,p) to more consideration of the reaction mechanism. The study of the frontier MOs, NBO at. charges, mol. electrostatic potential of reactants, as well as Pechmann condensation mechanism was known very useful in suitable reactant choice. The reaction was performed through the electrophilic attack, dehydration, and trans-esterification, resp. 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. 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 In Synthesis of Ethyl 4-chloro-3-oxobutanoate

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

Efficient Asymmetric Synthesis of Ethyl (S)-4-Chloro-3-hydroxybutyrate Using Alcohol Dehydrogenase SmADH31 with High Tolerance of Substrate and Product in a Monophasic Aqueous System was written by Yang, Zeyu;Ye, Wenjie;Xie, Youyu;Liu, Qinghai;Chen, Rong;Wang, Hualei;Wei, Dongzhi. And the article was included in Organic Process Research & Development in 2020.Application of 638-07-3 The following contents are mentioned in the article:

Bioredns. catalyzed by alc. dehydrogenases (ADHs) play an important role in the synthesis of chiral alcs. However, the synthesis of Et (S)-4-chloro-3-hydroxybutyrate [(S)-CHBE], an important drug intermediate, has significant challenges concerning high substrate or product inhibition toward ADHs, which complicates its production Herein, we evaluated a novel ADH, SmADH31, obtained from the Stenotrophomonas maltophilia genome, which can tolerate extremely high concentrations (6 M) of both substrate and product. The coexpression of SmADH31 and glucose dehydrogenase from Bacillus subtilis in Escherichia coli meant that as much as 660 g L^-1 (4.0 M) Et 4-chloroacetoacetate was completely converted into (S)-CHBE in a monophasic aqueous system with a >99.9% ee value and a high space-time yield (2664 g L^-1 d^-1). Mol. dynamics simulation shed light on the high activity and stereoselectivity of SmADH31. Moreover, five other optically pure chiral alcs. were synthesized at high concentrations (100-462 g L^-1) as a result of the broad substrate spectrum of SmADH31. All these compounds act as important drug intermediates, demonstrating the industrial potential of SmADH31-mediated bioredns. 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. 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.Application of 638-07-3

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

Novel chalcone-conjugated, multi-flexible end-group coumarin thiazole hybrids as potential antibacterial repressors against methicillin-resistant Staphylococcus aureus was written by Hu, Yuanyuan;Hu, Chunfang;Pan, Guangxing;Yu, Congwei;Ansari, Mohammad Fawad;Yadav Bheemanaboina, Rammohan R.;Cheng, Yu;Zhou, Chenghe;Zhang, Jiaheng. And the article was included in European Journal of Medicinal Chemistry in 2021.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

The increasing resistance of methicillin-resistant Staphylococcus aureus (MRSA) to antibiotics has led to a growing effort to design and synthesize novel structural candidates of chalcone-conjugated, multi-flexible end-group coumarin thiazole hybrids with outstanding bacteriostatic potential. Bioactivity screening showed that hybrid 5i, which was modified with methoxybenzene, exerted a significant inhibitory activity against MRSA (MIC = 0.004 mM), which was 6 times better than the anti-MRSA activity of the reference drug norfloxacin (MIC = 0.025 mM). Compound 5i neither conferred apparent resistance onto MRSA strains even after multiple passages nor triggered evident toxicity to human hepatocyte LO2 cells and normal mammalian cells (RAW 264.7). Mol. docking showed that highly active mol. 5i might bind to DNA gyrase by forming stable hydrogen bonds. In addition, mol. electrostatic potential surfaces were developed to explain the high antibacterial activity of the target compounds Furthermore, preliminary mechanism studies suggested that hybrid 5i could disrupt the bacterial membrane of MRSA and insert itself into MRSA DNA to impede its replication, thus possibly becoming a potential antibacterial repressor against MRSA. 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. 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.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate

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

Synthesis of ethyl (R)-4-chloro-3-hydroxybutyrate by immobilized cells using amino acid-modified magnetic nanoparticles was written by Lu, Yuan;Dai, Hongqian;Shi, Hanbing;Tang, Lan;Sun, Xingyuan;Ou, Zhimin. And the article was included in Process Biochemistry (Oxford, United Kingdom) in 2020.Formula: C6H9ClO3 The following contents are mentioned in the article:

Fe₃O₄-Arg was selected as the optimal carrier due to its high activity recovery of immobilized cells in the preparation of Fe₃O₄-Arg-Cells. The optimal immobilization conditions for the preparation of Fe₃O₄-Arg-Cells were 30°C, 4 h, pH 7, and 3 g dry yeast. The activity recovery of immobilized cells reached 76.8%. For a batch reduction in a shaker in an alternating magnetic field, Fe₃O₄-Arg-Cells were used as a catalyst to gain Et (R)-4-chloro-3-hydroxybutyrate ((R)-CHBE). For further improvement in reduction productivity, a continuous reduction in the magnetic fluidized bed reactor system (MFBRS) was completed. Under their optimal transformation conditions, it took 24 h for Fe₃O₄-Arg-Cells to complete the conversion of Et 4-chloro-3-oxobutanoate (COBE) (0.8553 mol/L) in the shaker and only 8 h for the batch reduction in an alternating magnetic field. Continuous reduction in MFBRS provided new ideas for the efficient production of (R)-CHBE; 1.5882 mol/L (10 mL) of COBE can be completely converted in 6 h. The conversion and enantiomeric excess (e.e.) of (R)-CHBE were 100% and above 99.9% resp., in the three reaction systems mentioned above. 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Formula: C6H9ClO3

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

Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents was written by Gao, Tianfeng;Zhang, Congying;Shi, Xiaowei;Guo, Ran;Zhang, Kai;Gu, Jianmin;Li, Lin;Li, Shuolei;Zheng, Qianqian;Cui, Mengyu;Cui, Miao;Gao, Xingmei;Liu, Yi;Wang, Lei. And the article was included in European Journal of Medicinal Chemistry in 2019.Related Products of 638-07-3 The following contents are mentioned in the article:

A novel series of 6-substituted pyrrolo[2,3-d]pyrimidines with reversed amide moieties from the lead compound I (R = 4-pyridyl) were designed and synthesized as nonclassical antifolates and as potential antitumor agents. Target compounds II were successfully obtained through two sequential condensation reactions from the key intermediate 2-amino-6-(2-aminoethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one. In preliminary antiproliferation assay, all compounds demonstrated submicromolar to nanomolar inhibitory effects against KB tumor cells, whereas compounds I (R = 2-, 3-, 4-pyridyl) also exhibited nanomolar antiproliferative activities toward SW620 and A549 cells. In particular, compounds I (R = 2-, 3-, 4-pyridyl) were significantly more potent than the pos. control methotrexate (MTX) and pemetrexed (PMX) to A549 cells. The growth inhibition induced cell cycle arrest at G1-phase with S-phase suppression. Along with the results of nucleoside protection assays, inhibition assays of dihydrofolate reductase (DHFR) clearly elucidated that the intracellular target of the designed compounds was DHFR. Mol. modeling studies suggested two binding modes of the target compounds with DHFR. 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 be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Related Products of 638-07-3

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

Photochemical generation of radicals from alkyl electrophiles using a nucleophilic organic catalyst was written by Schweitzer-Chaput, Bertrand;Horwitz, Matthew A.;de Pedro Beato, Eduardo;Melchiorre, Paolo. And the article was included in Nature Chemistry in 2019.Reference of 638-07-3 The following contents are mentioned in the article:

Chemists extensively use free radical reactivity for applications in organic synthesis, materials science, and life science. Traditionally, generating radicals requires strategies that exploit the bond dissociation energy or the redox properties of the precursors. Here, we disclose a photochem. catalytic approach that harnesses different phys. properties of the substrate to form carbon radicals. We use a nucleophilic dithiocarbamate anion catalyst, adorned with a well-tailored chromophoric unit, to activate alkyl electrophiles via an S_N2 pathway. The resulting photon-absorbing intermediate affords radicals upon homolytic cleavage induced by visible light. This catalytic S_N2-based strategy, which exploits a fundamental mechanistic process of ionic chem., grants access to open-shell intermediates from a variety of substrates that would be incompatible with or inert to classical radical-generating strategies. We also describe how the method’s mild reaction conditions and high functional group tolerance could be advantageous for developing C-C bond-forming reactions, for streamlining the preparation of a marketed drug, for the late-stage elaboration of biorelevant compounds and for enantioselective radical catalysis. 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. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.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.Reference of 638-07-3

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

Design, synthesis and biological evaluation of potential anti-AD hybrids with monoamine oxidase B inhibitory and iron-chelating effects was written by Guo, Jianan;Mi, Zhisheng;Jiang, Xiaoying;Zhang, Changjun;Guo, Zili;Li, Linzi;Gu, Jinping;Zhou, Tao;Bai, Renren;Xie, Yuanyuan. And the article was included in Bioorganic Chemistry in 2021.Synthetic Route of C6H9ClO3 The following contents are mentioned in the article:

A series of active hybrids combining 3-hydroxypyridin-4(1H)-one and coumarin pharmacophores were designed and synthesized as potential agents for the treatment of Alzheimer’s disease (AD). All the compounds exhibited excellent iron-chelating activities (pFe3+ = 14.8-19.2) and showed favorable monoamine oxidase B (MAO-B) inhibitory effects compared to the reference drug Pargyline (IC50 = 86.9 nM). Among them, compound 11 g displayed the best MAO-B inhibitory activity with an IC50 value of 99.3 nM. Mol. docking anal. showed that compound 11 g could enter the entrance cavity and substrate cavity of MAO-B. Furthermore, the compound 11 g had an excellent antioxidant effect and was capable of protecting from the amyloid-β1-42 (Aβ1-42) induced PC12 cell damage. In silico tools were applied for predicting the blood-brain barrier (BBB) penetration and compound 11 g was proved to overcome the brain exposure challenge. In the mice behavioral study, compound 11 g significantly ameliorated cognitive impairment induced by Scopolamine. More importantly, compound 11 g displayed favorable pharmacokinetic profiles in a rat model. In summary, compound 11 g, with both anti-MAO-B and iron-chelating ability, was proved to be a promising potential anti-AD agent for further optimization. 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. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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