2-(4-tert-butyl-phenyl)-4-chloromethyl-oxazole | 625826-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-tert-butyl-phenyl)-4-chloromethyl-oxazole
• 英文别名: 2-(4-tert-Butyl-phenyl)-4-chloromethyl-oxazol；2-(4-t-butyl-phenyl)-4-chloromethyl-oxazole；2-(4-tert-Butyl-phenyl)-4-Chloromethyloxazole；2-(4-tert-butylphenyl)-4-(chloromethyl)-1,3-oxazole
• CAS: 625826-70-2
• 化学式: C₁₄H₁₆ClNO
• 分子量: 249.74
• InChiKey: UDXPSDCEQMWIGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  rac-2-Ethoxy-3-(2-methyl-1H-indol-5-yl)-propionic acid ethyl ester 、 2-(4-tert-butyl-phenyl)-4-chloromethyl-oxazole 以to give rac-3-{1-[2-(4-tert-butyl-phenyl)-oxazol-4-ylmethyl]-2-methyl-1H-indol-5-yl}-2-ethoxy-propionic acid as light brown solid的产率得到rac-3-{1-[2-(4-tert-butyl-phenyl)-oxazol-4-ylmethyl]-2-methyl-1H-indol-5-yl}-2-ethoxy-propionic acid
  参考文献：
  名称：

  Indolyl derivatives

  摘要：

  提供了式I的化合物，以及其药学上可接受的盐和酯，其中R1至R8、A、A1和n的含义如规范中所示。

  公开号：

  US20040053979A1
• 作为产物：
  描述：

  在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-(4-tert-butyl-phenyl)-4-chloromethyl-oxazole
  参考文献：
  名称：

  Discovery of the disubstituted oxazole analogues as a novel class anti-tuberculotic agents against MDR- and XDR-MTB

  摘要：

  A high-throughput screening effort on 45,000 compounds resulted in the discovery of a disubstituted oxazole as a new structural class inhibitor of Mycobacterium tuberculosis (Mtb). In order to improve the activity and investigate the SAR of this scaffold, a series of disubstituted azole analogues have been designed and synthesized. The newly synthesized compounds 1a-y were evaluated for their in vitro anti-TB activity versus replicating, multi-and extensive drug resistant Mtb strains. All the compounds, except 1o, 1p and 1q, showed potent anti-TB activity with MIC of 1-64 mg/L. The test of broad spectrum panel revealed that this series are specific to Mtb. The cytotoxicity assessment indicated that the compounds were not cytotoxic against HEK 293 cells. The compounds could have a novel mechanism to anti-Mtb as they can inhibit drug sensitive and drug resistant Mtb. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.072

文献信息

• Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus
  申请人：Wyeth

  公开号：US20030216442A1

  公开（公告）日：2003-11-20

  This invention provides compounds of formula I, having the structure 1 wherein R 1 , R 4 , A, and Z are as defined in the specification, or a pharmaceutically acceptable salt thereof, that are useful in treating metabolic disorders mediated by insulin resistance or hyperglycemia.

  这项发明提供了具有结构的I式化合物，其结构如下： 其中R 1 ，R 4 ，A和Z如规范中定义，或其药学上可接受的盐，可用于治疗由胰岛素抵抗或高血糖介导的代谢紊乱。
• N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1539746B1

  公开（公告）日：2006-11-15
• US6890947B2
  申请人：——

  公开号：US6890947B2

  公开（公告）日：2005-05-10
• US6933322B2
  申请人：——

  公开号：US6933322B2

  公开（公告）日：2005-08-23