N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-3-(dimethylamino)propanamide | 1078132-83-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-3-(dimethylamino)propanamide
• 英文别名: N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-3-(dimethylamino)propanamide
• CAS: 1078132-83-8
• 化学式: C₂₅H₂₃F₃N₆O₃S
• 分子量: 544.557
• InChiKey: MNIRXWZHOBNBKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N-(4-(6-(2-氨基-4-(三氟甲基)苯基)嘧啶-4-氧基)-苯并[d]噻唑-2-基)乙酰胺 、 3-(dimethylamino)propanoyl chloride 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-3-(dimethylamino)propanamide
  参考文献：
  名称：

  Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists

  摘要：

  Clinical candidate AMG 517 (1) is a potent antagonist toward multiple modes of activation of TRPV1; however, it suffers from poor solubility. Analogs with various substituents at the R region of 3 were prepared to improve the solubility while maintaining the potent TRPV1 activity of 1. Compounds were identified that maintained potency, had good pharmacokinetic properties, and improved solubility relative to 1. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.112

文献信息

• Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists
  作者：Markian M. Stec、Yunxin Bo、Partha P. Chakrabarti、Lillian Liao、Mqhele Ncube、Nuria Tamayo、Rami Tamir、Narender R. Gavva、James J.S. Treanor、Mark H. Norman

  DOI：10.1016/j.bmcl.2008.07.112

  日期：2008.9

  Clinical candidate AMG 517 (1) is a potent antagonist toward multiple modes of activation of TRPV1; however, it suffers from poor solubility. Analogs with various substituents at the R region of 3 were prepared to improve the solubility while maintaining the potent TRPV1 activity of 1. Compounds were identified that maintained potency, had good pharmacokinetic properties, and improved solubility relative to 1. (C) 2008 Elsevier Ltd. All rights reserved.