(2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-amine | 643747-81-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-amine
• 英文别名: N-(2-bromo-4-propan-2-ylphenyl)-5-[[cyclopropylmethyl(propyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
• CAS: 643747-81-3
• 化学式: C₂₁H₂₇BrF₃N₃S
• 分子量: 490.431
• InChiKey: IBAVUGWJVSMJLY-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：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 (2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-amine 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 (2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethylthiazol-2-yl}-ethyl-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：

  2-(2-Bromo-4-isopropyl-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 (2-Bromo-4-isopropyl-phenyl)-{5-[(cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-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