(4R,7S)-N-[3-fluoro-6-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)pyridin-2-yl]-4,7-methano-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide | 1194655-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (4R,7S)-N-[3-fluoro-6-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)pyridin-2-yl]-4,7-methano-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
• 英文别名: (1S,7R)-N-[3-fluoro-6-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]pyridin-2-yl]-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene-4-carboxamide
• CAS: 1194655-88-3
• 化学式: C₃₁H₃₂FN₇O₂S
• 分子量: 585.705
• InChiKey: ZNXYHPOSODRDSY-MOPGFXCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Certain Substituted Amides, Method of Making, and Method of Use Thereof
  申请人：Blomgren Peter A.

  公开号：US20110118233A1

  公开（公告）日：2011-05-19

  Compounds of Formula I that inhibit Btk are described herein. Pharmaceutical compositions comprising at least one compound of Formula I, together with at least one pharmaceutically acceptable vehicle chosen from carriers, adjuvants, and excipients, are described. Methods of treating patients suffering from certain diseases responsive to inhibition of Btk activity and/or B-cell activity are described. Methods for determining the presence of Btk in a sample are described.

  本文描述了化学式I的化合物，可以抑制Btk。本文还描述了包含化学式I中至少一种化合物的制药组合物，以及至少选择一种药物可接受载体，如载体、辅料和赋形剂。本文还描述了治疗对抑制Btk活性和/或B细胞活性有反应的某些疾病的患者的方法。本文还描述了检测样本中Btk存在的方法。
• SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS
  申请人：Gilead Connecticut, Inc.

  公开号：EP2297105B1

  公开（公告）日：2015-09-02
• US8426424B2
  申请人：——

  公开号：US8426424B2

  公开（公告）日：2013-04-23