(2-chlorophenyl)-[2-(4-chlorophenylamino)thiazol-5-yl]methanone | 660856-51-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-chlorophenyl)-[2-(4-chlorophenylamino)thiazol-5-yl]methanone
• 英文别名: [2-(4-Chloroanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
• CAS: 660856-51-9
• 化学式: C₁₆H₁₀Cl₂N₂OS
• 分子量: 349.24
• InChiKey: RPSRGHSCASYFGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻氯苯腈 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 26.0h， 生成 (2-chlorophenyl)-[2-(4-chlorophenylamino)thiazol-5-yl]methanone
  参考文献：
  名称：

  Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors

  摘要：

  p38 mitogen-activated protein kinase (MAPK) is a promising target for the development of therapeutics for various immunological diseases. We designed and synthesized aminothiazole-based p38 MAPK inhibitors of with IC50 values ranging from 0.1 to 2 mu M by means of the structure-based de novo design of phenyl-(2-phenylamino-thiazol-5-yl)-methanone scaffold. Because these newly identified inhibitors were also screened for having desirable physicochemical properties as a drug candidate, they deserve consideration for further investigation as anti-inflammatory drugs. Structural features relevant to the stabilization of the newly identified inhibitors in the ATP-binding site of p38 MAPK are discussed in detail. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.07.094

文献信息

• Aminothiazole derivatives
  申请人：——

  公开号：US20040038990A1

  公开（公告）日：2004-02-26

  Compounds of formula I 1 as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 4 have the significance given in the specification, and the compounds, salts and esters can be used for the treatment of obesity.

  化合物I1的公式及其药学上可接受的盐和酯，其中R1至R4具有规范中所给定的意义，这些化合物、盐和酯可用于治疗肥胖症。
• US7253197B2
  申请人：——

  公开号：US7253197B2

  公开（公告）日：2007-08-07