2-(2,4,6-Trichloro-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid cyclopropylmethyl-propyl-amide | 405878-67-3

• 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-(2,4,6-Trichloro-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid cyclopropylmethyl-propyl-amide
• 英文别名: N-(cyclopropylmethyl)-N-propyl-2-(2,4,6-trichloroanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
• CAS: 405878-67-3
• 化学式: C₁₈H₁₇Cl₃F₃N₃OS
• 分子量: 486.773
• InChiKey: UIAWOPLJZWQRDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(2,4,6-Trichloro-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid cyclopropylmethyl-propyl-amide 在 硼烷四氢呋喃络合物 、 甲醇 作用下， 反应 17.0h， 生成 {5-[(Cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trichloro-phenyl)-amine
  参考文献：
  名称：

  2-Arylaminothiazoles as high-affinity corticotropin-Releasing factor 1 receptor (CRF1R) antagonists: synthesis, binding studies and behavioral efficacy

  摘要：

  2-Arylamino-4-trifluoromethyl-5-aminomethylthiazoles represent a novel series of high-affinity corticotropin releasing factor-1 receptor (CRF1R) antagonists that are prepared in three steps in good overall yields. Herein, we report binding SAR as well as anxiolytic activity of an exemplary compound (7a, K-i = 8.6 nM) in a mouse canopy model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.055
• 作为产物：
  描述：

  1-(2,4,6-三氯苯基)-2-硫脲 在 三甲基铝 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 30.0h， 生成 2-(2,4,6-Trichloro-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid cyclopropylmethyl-propyl-amide
  参考文献：
  名称：

  2-Arylaminothiazoles as high-affinity corticotropin-Releasing factor 1 receptor (CRF1R) antagonists: synthesis, binding studies and behavioral efficacy

  摘要：

  2-Arylamino-4-trifluoromethyl-5-aminomethylthiazoles represent a novel series of high-affinity corticotropin releasing factor-1 receptor (CRF1R) antagonists that are prepared in three steps in good overall yields. Herein, we report binding SAR as well as anxiolytic activity of an exemplary compound (7a, K-i = 8.6 nM) in a mouse canopy model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.055

文献信息

• 2-Arylaminothiazoles as high-affinity corticotropin-Releasing factor 1 receptor (CRF1R) antagonists: synthesis, binding studies and behavioral efficacy
  作者：Gene M. Dubowchik、Jodi A. Michne、Dmitry Zuev、Wendy Schwartz、Paul M. Scola、Clint A. James、Edward H. Ruediger、Sokhom S. Pin、Kevin D. Burris、Lynn A. Balanda、Qi Gao、Dedong Wu、Lawrence Fung、Tracey Fiedler、Kaitlin E. Browman、Matthew T. Taber、Jie Zhang

  DOI：10.1016/j.bmcl.2003.08.055

  日期：2003.11

  2-Arylamino-4-trifluoromethyl-5-aminomethylthiazoles represent a novel series of high-affinity corticotropin releasing factor-1 receptor (CRF1R) antagonists that are prepared in three steps in good overall yields. Herein, we report binding SAR as well as anxiolytic activity of an exemplary compound (7a, K-i = 8.6 nM) in a mouse canopy model. (C) 2003 Elsevier Ltd. All rights reserved.