(2-fluorophenyl)-[2-(3-methoxyphenylamino)thiazol-5-yl]methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-fluorophenyl)-[2-(3-methoxyphenylamino)thiazol-5-yl]methanone
• 英文别名: (2-Fluoro-phenyl)-[2-(3-methoxy-phenylamino)-thiazol-5-yl]-methanone；(2-fluorophenyl)-[2-(3-methoxyanilino)-1,3-thiazol-5-yl]methanone
• 化学式: C₁₇H₁₃FN₂O₂S
• 分子量: 328.367
• InChiKey: KOTRJGJSUUYPQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(间甲氧基苯基)-2-硫脲 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 (2-fluorophenyl)-[2-(3-methoxyphenylamino)thiazol-5-yl]methanone
  参考文献：
  名称：

  Novel and potent NPY5 receptor antagonists derived from virtual screening and iterative parallel chemistry design

  摘要：

  In the quest for NPY5 receptor antagonists a virtual screening approach yielded a novel and potent hit class from a limited compound selection. The tight and seamless integration between virtual screening and rapid parallel chemistry within the framework of the Roche Lead Generation unit led in only two rounds of iterative chemistry optimisation to a much broader understanding of the factors which influence the potency of the thiazole hit class. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.063

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
• Novel and potent NPY5 receptor antagonists derived from virtual screening and iterative parallel chemistry design
  作者：Wolfgang Guba、Werner Neidhart、Matthias Nettekoven

  DOI：10.1016/j.bmcl.2005.01.063

  日期：2005.3

  In the quest for NPY5 receptor antagonists a virtual screening approach yielded a novel and potent hit class from a limited compound selection. The tight and seamless integration between virtual screening and rapid parallel chemistry within the framework of the Roche Lead Generation unit led in only two rounds of iterative chemistry optimisation to a much broader understanding of the factors which influence the potency of the thiazole hit class. © 2005 Elsevier Ltd. All rights reserved.