N-(2-chloro-6-methylphenyl)-2-(propylamino)thiazole-5-carboxamide | 1023297-27-9

• 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: N-(2-chloro-6-methylphenyl)-2-(propylamino)thiazole-5-carboxamide
• 英文别名: N-(2-chloro-6-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
• CAS: 1023297-27-9
• 化学式: C₁₄H₁₆ClN₃OS
• 分子量: 309.82
• InChiKey: WDRDWBPWVMWQDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  正丙胺 、 2-溴-N-(2-氯-6-甲基苯基)-5-噻唑甲酰胺 以 乙醇 为溶剂， 生成 N-(2-chloro-6-methylphenyl)-2-(propylamino)thiazole-5-carboxamide
  参考文献：
  名称：

  The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)—A potent and efficacious p38α MAP kinase inhibitor

  摘要：

  A novel structural class of p38 alpha MAP kinase inhibitors has been identified via iterative SAR studies of a focused deck screen hit. Optimization of the lead series generated 6e, BMS-640994, a potent and selective p38 alpha inhibitor that is orally efficacious in rodent models of acute and chronic inflammation. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.031

文献信息

• The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)—A potent and efficacious p38α MAP kinase inhibitor
  作者：John Hynes、Hong Wu、Sidney Pitt、Ding Ren Shen、Rosemary Zhang、Gary L. Schieven、Kathleen M. Gillooly、David J. Shuster、Tracy L. Taylor、XiaoXia Yang、Kim W. McIntyre、Murray McKinnon、Hongjian Zhang、Punit H. Marathe、Arthur M. Doweyko、Kevin Kish、Susan E. Kiefer、John S. Sack、John A. Newitt、Joel C. Barrish、John Dodd、Katerina Leftheris

  DOI：10.1016/j.bmcl.2008.02.031

  日期：2008.3

  A novel structural class of p38 alpha MAP kinase inhibitors has been identified via iterative SAR studies of a focused deck screen hit. Optimization of the lead series generated 6e, BMS-640994, a potent and selective p38 alpha inhibitor that is orally efficacious in rodent models of acute and chronic inflammation. (C) 2008 Elsevier Ltd. All rights reserved.