2-溴-4-(4-氯苯基)噻唑 | 39564-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-溴-4-(4-氯苯基)噻唑
• 英文名称: 2-bromo-4-(4-chlorophenyl)thiazole
• 英文别名: 2-bromo-4-(4-chlorophenyl)-1,3-thiazole
• CAS: 39564-86-8
• 化学式: C₉H₅BrClNS
• mdl: MFCD07375243
• 分子量: 274.568
• InChiKey: QBRGRSYZRUCWNH-UHFFFAOYSA-N

物化性质

• 沸点：
  358.3±17.0 °C(Predicted)
• 密度：
  1.658±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  2-溴-4-(4-氯苯基)噻唑 在 2-吡啶甲酸 、 copper(l) iodide 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 32.0h， 生成 ethyl 5-(4-(4-chlorophenyl)thiazol-2-yl)-1-(2,6-diethylphenyl)-4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  [EN] MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER
  [FR] INHIBITEURS D'IDH1 MUTANTS UTILES POUR TRAITER LE CANCER

  摘要：

  公开号：

  WO2016106331A8
• 作为产物：
  描述：

  对氯苯乙酮 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 乙醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-溴-4-(4-氯苯基)噻唑
  参考文献：
  名称：

  One-Pot Tandem Copper-Catalyzed Library Synthesis of 1-Thiazolyl-1,2,3-triazoles as Anticancer Agents

  摘要：

  One-pot multicomponent synthesis to assemble compounds has been an efficient method for constructing a compound library. We have developed one-pot tandem copper-catalyzed azidation and CuAAC reactions that afford 1-thiazolyl-1,2,3-triazoles with anticancer activity. By utilizing this one-pot synthetic strategy, we constructed a library of 1-thiazolyl-1,2,3-triazoles in search of the potent lead compound. Furthermore, 1-thiazolyl-1,2,3-triazoles were evaluated for anticancer activity against the multidrug-resistant cancer cells MES-SA/Dx5. Most of the 1-thiazolyl-1,2,3-triazoles revealed cytotoxic effect against cancer cells at micromolar to low micromolar range. Testing some of the most potent compounds (5{4,2-4} and 5{5,1-3}) against the normal cell line Vero showed no significant toxicity (except 5{4,2}) to normal cells. This result indicates that compounds 5{4,3-4} and 5{5,1-3} possessed good potency and selectivity to cancer cells over normal cells.

  DOI：

  10.1021/co1000234

文献信息

• Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof
  申请人：——

  公开号：US20040072876A1

  公开（公告）日：2004-04-15

  The present invention provides a pharmaceutical composition having a steroid C 17,20 -lyase inhibitory activity, which is useful as a prophylactic or therapeutic agent of prostatism, tumor such as breast cancer and the like, more particularly, a steroid C 17,20 -lyase inhibitor containing a compound represented by the formula: 1 wherein A 1 is an aromatic hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, one of A 2 and A 3 is a hydrogen atom, a halogen atom, a C 1-4 aliphatic hydrocarbon group optionally having substituents or an optionally esterified carboxyl group, the other of A 2 and A 3 is an aromatic hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, and at least one of A 1 , A 2 and A 3 is a 3-pyridyl group optionally having substituents, or a salt thereof or a prodrug thereof.

  本发明提供了一种具有类固醇C17,20-裂解酶抑制活性的药物组合物，其可作为前列腺增生症、乳腺癌等肿瘤的预防或治疗剂，更具体地，是一种含有以下化合物的类固醇C17,20-裂解酶抑制剂：式中，A1为芳香族碳氢基团，可选地具有取代基，或者为杂环基团，可选地具有取代基；A2和A3中的一个为氢原子、卤素原子、C1-4脂肪族碳氢基团，可选地具有取代基，或者为可选酯化的羧基；另一个为芳香族碳氢基团，可选地具有取代基，或者为杂环基团，可选地具有取代基；且A1、A2和A3中至少有一个为可选地具有取代基的3-吡啶基团，或其盐或前药。
• Mutant IDH1 inhibitors useful for treating cancer
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE

  公开号：US10703746B2

  公开（公告）日：2020-07-07

  Compounds of Formula I and Formula II and the pharmaceutically acceptable salts thereof are disclosed The variables A, B, Y, Z, X1, X2, R1-4 and R13-18 are disclosed herein. The compounds are useful for treating cancer disorders, especially those involving mutant IDH1 enzymes. Pharmaceutical compositions containing compounds of Formula I or Formula II and methods of treatment comprising administering compounds of Formula I and Formula II are also disclosed.

  公开了式 I 和式 II 的化合物及其药学上可接受的盐 本文公开了变量 A、B、Y、Z、X1、X2、R1-4 和 R13-18。这些化合物可用于治疗癌症疾病，特别是涉及突变 IDH1 酶的疾病。还公开了含有式 I 或式 II 化合物的药物组合物以及包括施用式 I 和式 II 化合物的治疗方法。
• 一种GPR183拮抗剂及其合成方法和应用
  申请人：中国人民解放军海军特色医学中心

  公开号：CN117586179A

  公开（公告）日：2024-02-23

  本发明公开了一种化合物，其结构如式I所示，其中各基团和取代基的定义如说明书中所述。本发明还公开了上述化合物的合成方法，上述化合物可作为GPR183拮抗剂，用于治疗骨关节炎。#imgabs0#
• SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1348706B1

  公开（公告）日：2009-08-19
• Ralhan,N.K. et al., Journal of the Indian Chemical Society, 1960, vol. 37, p. 773 - 774
  作者：Ralhan,N.K. et al.

  DOI：——

  日期：——