Tag: 100-200

Chen, Ying; Xu, Lanting; Jiang, Yongwen; Ma, Dawei published their research in Angewandte Chemie, International Edition in 2021. The article was titled 《Assembly of α-(Hetero)aryl Nitriles via Copper-Catalyzed Coupling Reactions with (Hetero)aryl Chlorides and Bromides》.HPLC of Formula: 5781-53-3 The article contains the following contents:

α-(Hetero)aryl nitriles are important structural motifs for pharmaceutical design. The known methods for direct synthesis of these compounds via coupling with (hetero)aryl halides suffer from narrow reaction scope. Herein, we report that the combination of copper salts and oxalic diamides enables the coupling of a variety of (hetero)aryl halides (Cl, Br) and Et cyanoacetate under mild conditions, affording α-(hetero)arylacetonitriles via one-pot decarboxylation. Addnl., the CuBr/oxalic diamide catalyzed coupling of (hetero)aryl bromides with α-alkyl-substituted Et cyanoacetates proceeds smoothly at 60°C, leading to the formation of α-alkyl (hetero)arylacetonitriles after decarboxylation. The method features a general substrate scope and is compatible with various functionalities and heteroaryls. Thus, e.g., 4-chloroanisole + Et cyanoacetate → 2-(4-methoxyphenyl)acetonitrile (up to 80%). In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3HPLC of Formula: 5781-53-3)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.HPLC of Formula: 5781-53-3

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

《Cryo-EM Structure of the Human Cannabinoid Receptor CB2-Gi Signaling Complex》 was published in Cell (Cambridge, MA, United States) in 2020. These research results belong to Xing, Changrui; Zhuang, Youwen; Xu, Ting-Hai; Feng, Zhiwei; Zhou, X. Edward; Chen, Maozi; Wang, Lei; Meng, Xing; Xue, Ying; Wang, Junmei; Liu, Heng; McGuire, Terence Francis; Zhao, Gongpu; Melcher, Karsten; Zhang, Cheng; Xu, H. Eric; Xie, Xiang-Qun. Recommanded Product: Thiophene-2-sulfonyl chloride The article mentions the following:

Drugs selectively targeting CB2 hold promise for treating neurodegenerative disorders, inflammation, and pain while avoiding psychotropic side effects mediated by CB1. The mechanisms underlying CB2 activation and signaling are poorly understood but critical for drug design. Here we report the cryo-EM structure of the human CB2-Gi signaling complex bound to the agonist WIN 55,212-2. The 3D structure reveals the binding mode of WIN 55,212-2 and structural determinants for distinguishing CB2 agonists from antagonists, which are supported by a pair of rationally designed agonist and antagonist. Further structural analyses with computational docking results uncover the differences between CB2 and CB1 in receptor activation, ligand recognition, and Gi coupling. These findings are expected to facilitate rational structure-based discovery of drugs targeting the cannabinoid system. In the experiment, the researchers used Thiophene-2-sulfonyl chloride(cas: 16629-19-9Recommanded Product: Thiophene-2-sulfonyl chloride)

Thiophene-2-sulfonyl chloride(cas: 16629-19-9) is a member of sulfonyl chlorides. Sulfonyl chlorides are reactive sulfonic acid derivatives similar in properties and reactivity to acid chlorides of carboxylates. The sulfonic acid group, however, is a highly hindered molecule, containing a tetrahedral configuration of substituents. Recommanded Product: Thiophene-2-sulfonyl chloride

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

Schell, Peter; Richards, Matthew P.; Hanson, Kelley; Berk, Scott C.; Makara, Gergely M. published an article on February 28 ,2005. The article was titled 《Versatile Solid-Phase Synthesis of Trisubstituted 1H-Pyrido[2,3-d]pyrimidin-4-ones and Related Heterocycles》, and you may find the article in Journal of Combinatorial Chemistry.COA of Formula: C7H8Cl2FN The information in the text is summarized as follows:

A solid-phase synthesis of trisubstituted 1H-pyrido[2,3-d]pyrimidin-4-ones I [R1 = n-Pr, MeOCH2CH2, cyclohexyl, 4-MeC6H4CH2, 2-(morpholino)ethyl; R2 = n-Pr, 4-FC6H4CH2, PhOCH2CH2, 2-(3-pyridyl)ethyl, etc.; R3R4N = morpholinyl, Me2N, Me2NCH2CH2NMe, Et2NCH2CH2NH, etc.] has been developed. The synthesis utilizes solid-phase bound N-2,6-dichloronicotinoyl-1H-benzotriazole-1-carboximidamides as key intermediates. Sequential substitution of benzotriazole moiety and the two chlorine atoms furnishes I regioselectively with high purity. Application of the method to various disubstituted analogs is also demonstrated. The experimental part of the paper was very detailed, including the reaction process of (4-Chloro-2-fluorophenyl)methanamine hydrochloride(cas: 202982-63-6COA of Formula: C7H8Cl2FN)

(4-Chloro-2-fluorophenyl)methanamine hydrochloride(cas: 202982-63-6) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.COA of Formula: C7H8Cl2FN

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

Category: chlorides-buliding-blocksOn November 1, 2021 ,《Design, synthesis and antitumor activity evaluation of trifluoromethyl-substituted pyrimidine derivatives》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Liu, Limin; Wang, Zhengjie; Gao, Chao; Dai, Honglin; Si, Xiaojie; Zhang, Yang; Meng, Yaqi; Zheng, Jiaxin; Ke, Yu; Liu, Hongmin; Zhang, Qiurong. The article conveys some information:

In order to find efficient new antitumor drugs, a series of novel trifluoromethyl-substituted pyrimidine derivatives were designed and synthesized and the bioactivity against four human tumor cells (PC-3, MGC-803, MCF-7 and H1975) was evaluated by MTT assay. Compound I displayed potent anti-proliferative activity on H1975 (IC50 = 2.27 μM), which was better than the pos. control 5-FU (IC50 = 9.37 μM). Further biol. evaluation studies showed that compound I apoptosis of H1975 cells and arrested the cell cycle at G2/M phase. Furthermore, compound I induced H1975 cells apoptosis through increasing the expression of pro-apoptotic proteins Bax and p53 and down-regulating the anti-apoptotic protein Bcl-2. In addition, compound I was able to be tightly embedded in the active pocket of EGFR. These results demonstrated that compound I has a potential as a lead compound for further investigation.3-Chlorobenzylchloride(cas: 620-20-2Category: chlorides-buliding-blocks) was used in this study.

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Category: chlorides-buliding-blocks

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

HPLC of Formula: 620-20-2On May 6, 2020 ,《Reagent Control Enables Selective and Regiodivergent Opening of Unsymmetrical Phenonium Ions》 appeared in Journal of the American Chemical Society. The author of the article were Xu, Shiyan; Holst, Hannah M.; McGuire, Shelby B.; Race, Nicholas J.. The article conveys some information:

The first examples of selective and regiodivergent chlorination of unsym. benzyl-substituted epoxides, I [R = 4-methoxyphenyl, Ph, 2H-1,3-benzodioxol-5-yl, 1-[(4-methylbenzene)sulfonyl]-2,3-dihydro-1H-indol-5-yl, etc.; R1 = Pr, 4-methoxyphenyl, 4-cyanobutyl, 4-(benzyloxy)butyl, etc.] have been reported. These reactions are enabled by the dual role of SnCl4 and TiCl4 as Lewis acids and chloride nucleophiles. Reagent control dictates addition of chloride at either the substituted internal position (SnCl4) or unsubstituted terminal position (TiCl4) of the phenonium ion. These reactions are highly selective, stereospecific, and operationally simple, and proceed in good to excellent yields. Diverse product utility is demonstrated. In the experiment, the researchers used many compounds, for example, 3-Chlorobenzylchloride(cas: 620-20-2HPLC of Formula: 620-20-2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.HPLC of Formula: 620-20-2

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

The author of 《Reductive Coupling between C-N and C-O Electrophiles》 were He, Rong-De; Li, Chun-Ling; Pan, Qiu-Quan; Guo, Peng; Liu, Xue-Yuan; Shu, Xing-Zhong. And the article was published in Journal of the American Chemical Society in 2019. Computed Properties of C3H3ClO3 The author mentioned the following in the article:

The cross-electrophile reaction is a promising strategy for C-C bond formation. Recent studies have focused mainly on reactions with organic halides. Here we report a coupling reaction between C-N and C-O electrophiles that demonstrates the possibility of constructing a C-C bond via C-N and C-O cleavage. Several reactions between benzyl/aryl ammonium salts and vinyl/aryl C-O electrophiles have been studied. Preliminary mechanistic studies revealed that the benzyl ammoniums were activated through a radical mechanism. The results came from multiple reactions, including the reaction of Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Computed Properties of C3H3ClO3)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.Computed Properties of C3H3ClO3

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

The author of 《Synthesis and bioactivity evaluation of penta-1,4-diene-3-one oxime ether derivatives》 were Tang, Xu; Su, Shijun; Li, Qin; He, Jun; Chen, Mei; Chen, Yu; Wu, Jiaxiang; Jiang, Shichun; Xue, Wei. And the article was published in Journal of Pesticide Science (Tokyo, Japan) in 2019. Recommanded Product: 620-20-2 The author mentioned the following in the article:

A series of penta-1,4-diene-3-one oxime ether derivatives I (R = 2,4-Cl2C6H3, 4-MeOC6H4, 6-Cl-3-pyridyl, etc.; X = 4-OBn, 2-OBn) were synthesized, and their antiviral and antifungal activities were evaluated. Bioactivity evaluations showed that most target compounds had significant antiviral activity against tobacco mosaic virus (TMV). The synthesized compounds also showed certain inhibitory effects on three plant-pathogenic fungi, but all of them are lower than that of the control drug epoxiconazole. Among them, I (R = 3-FC6H4; X = 4-OBn) was found to have good curative activity against TMV, with an inhibition rate of 64.6%, which was better than that of ribavirin (45.2%). Compound I (R = 6-Cl-3-pyridyl; X = 4-OBn) had a remarkable protective effect against TMV, with an inhibitory rate of 66.9%, which was better than that of ribavirin (61.8%). The inhibitory rate of compound I (R = 4-ClC6H4; X = 2-OBn) in inactivation activity against TMV was 87.0%, which was better than that of ribavirin (77.9%). Further mol. docking studies indicated that compound I (R = 4-ClC6H4; X = 2-OBn) showed strong binding affinities toward the coat protein of tobacco mosaic virus. This result indicates that penta-1,4-diene-3-one oxime ether derivatives can play a significant role in discovering new antiviral agents.3-Chlorobenzylchloride(cas: 620-20-2Recommanded Product: 620-20-2) was used in this study.

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Recommanded Product: 620-20-2

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

Pedreira, Julia G. B.; Nahidino, Philipp; Kudolo, Mark; Pantsar, Tatu; Berger, Benedict-Tilman; Forster, Michael; Knapp, Stefan; Laufer, Stefan; Barreiro, Eliezer J. published an article in Journal of Medicinal Chemistry. The title of the article was 《Bioisosteric Replacement of Arylamide-Linked Spine Residues with N-Acylhydrazones and Selenophenes as a Design Strategy to Novel Dibenzosuberone Derivatives as Type I 1/2 p38α MAP Kinase Inhibitors》.Safety of 3-Chlorobenzylchloride The author mentioned the following in the article:

The recent disclosure of type I 1/2 inhibitors for p38α MAPK demonstrated how the stabilization of the R-spine can be used as a strategy to greatly increase the target residence time (TRT) of inhibitors. Herein, for the first time, we describe N-acylhydrazone and selenophene residues as spine motifs, yielding metabolically stable inhibitors with high potency on enzymic, NanoBRET, and whole blood assays, improved metabolic stability, and prolonged TRT. The experimental part of the paper was very detailed, including the reaction process of 3-Chlorobenzylchloride(cas: 620-20-2Safety of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Safety of 3-Chlorobenzylchloride

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

Meuer, Stefan; Zentel, Rudolf published an article on January 21 ,2008. The article was titled 《Functional diblock copolymers for the integration of triboluminescent materials into polymer matrices》, and you may find the article in Macromolecular Chemistry and Physics.Recommanded Product: 14258-40-3 The information in the text is summarized as follows:

This work describes the synthesis and use of new diblock copolymers to integrate functional inorganic particles into a polymer matrix. These diblock copolymers were synthesized by nitroxide-mediated polymerization (NMP) from styrene and two styrene-like monomers with protected functional groups for the later connection to the functional inorganic material. It was possible to keep the polydispersity of the block copolymers around or below 1.2 and to preset the length of the functional block to about 20 monomers or 10 mol-% of monomers. The groups for the surface functionalization (amino groups or chelating ligands) were obtained in their free form by polymer analogous reactions. As an example of functional inorganic materials, two highly triboluminescent materials were synthesized and investigated: an europium complex that is sensitive to fracture only and a manganese-doped zinc sulfide that is also sensitive to reversible deformations. The interaction of the functional block copolymers with these triboluminescent crystals could be proved by (i) selective adsorption on surfaces coated with the block copolymer, (ii) by copolymer-mediated transfer of the crystals from water to a chloroform phase and (iii) by the homogeneous embedding of the crystals in a polystyrene (PS) matrix.2-(2-Chloroethoxy)ethyl acetate(cas: 14258-40-3Recommanded Product: 14258-40-3) was used in this study.

2-(2-Chloroethoxy)ethyl acetate(cas: 14258-40-3) belongs to aliphatic hydrocarbons. Aliphatic hydrocarbons belong to the most abundant fraction in crude oil. Aliphatics molecules are linear or branched open-chain structures such as n-alkanes, isoalkanes, cycloalkanes (naphthenes), terpenes and steranes.Recommanded Product: 14258-40-3

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

Liu, Hongyan; Sun, Danwen; Du, Hang; Zheng, Changji; Li, Jingya; Piao, Huri; Li, Jia; Sun, Liangpeng published an article in European Journal of Medicinal Chemistry. The title of the article was 《Synthesis and biological evaluation of tryptophan-derived rhodanine derivatives as PTP1B inhibitors and anti-bacterial agents》.Recommanded Product: 620-20-2 The author mentioned the following in the article:

Several series of novel tryptophan-derived rhodanine derivatives were synthesized and identified as potential competitive PTP1B inhibitors and antibacterial agents. Among the compounds studied, I [R = 4-Br] was found to have the best in vitro inhibition activity against PTP1B (IC50 = 0.36 ± 0.02 μM). In addition, the compounds also showed potent inhibition against other PTPs, especially CDC25B. Mol. docking anal. demonstrated that compounds II and I [R = 4-Br] could occupy both the catalytic site and the adjacent pTyr binding site simultaneously. The compounds also showed higher levels of activity against gram-pos. strains, the gram-neg. strain Escherichia coli 1924, and multidrug-resistant gram-pos. bacterial strains. Compounds II, III, IV and I [R = 4-Me, 4-F] had comparable or more potent antibacterial activity than the pos. controls. The experimental process involved the reaction of 3-Chlorobenzylchloride(cas: 620-20-2Recommanded Product: 620-20-2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Recommanded Product: 620-20-2

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