5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N-(cyanomethyl)-N,2-dimethylbenzamide | 1012060-83-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N-(cyanomethyl)-N,2-dimethylbenzamide
• 英文别名: 5-[[2-[(6-bromopyridin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-N-(cyanomethyl)-N,2-dimethylbenzamide
• CAS: 1012060-83-1
• 化学式: C₁₉H₁₆BrN₅OS₂
• 分子量: 474.405
• InChiKey: GBUDBNJWJUFVEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-[[2-[N-(6-Bromopyridin-2-yl)amino]thiazol-5-yl]thio]-2-methylbenzoic Acid 、 甲胺基乙氰 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N-(cyanomethyl)-N,2-dimethylbenzamide
  参考文献：
  名称：

  Identification of 2-amino-5-(thioaryl)thiazoles as inhibitors of nerve growth factor receptor TrkA

  摘要：

  2-Amino-5-(thioaryl)thiazoles are potent inhibitors of TrkA (e.g., 20h, TrkA IC50 = 0.6 nM) that show anti-proliferative effect in cellular assays. A proposed inhibitor binding mode to TrkA active site is consistent with key SAR observations. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.076

文献信息

• Identification of 2-amino-5-(thioaryl)thiazoles as inhibitors of nerve growth factor receptor TrkA
  作者：Soong-Hoon Kim、John S. Tokarski、Kenneth J. Leavitt、Brian E. Fink、Mark E. Salvati、Robert Moquin、Mary T. Obermeier、George L. Trainor、Gregory G. Vite、Linda K. Stadnick、Jonathan S. Lippy、Dan You、Matthew V. Lorenzi、Ping Chen

  DOI：10.1016/j.bmcl.2007.11.076

  日期：2008.1

  2-Amino-5-(thioaryl)thiazoles are potent inhibitors of TrkA (e.g., 20h, TrkA IC50 = 0.6 nM) that show anti-proliferative effect in cellular assays. A proposed inhibitor binding mode to TrkA active site is consistent with key SAR observations. (c) 2007 Elsevier Ltd. All rights reserved.