(S)-(+)-N-(3-(6-(4-(2-(Dimethylamino)-1-(isopropyl(methyl)amino)-2-oxoethyl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide | 1133432-51-5

• 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: (S)-(+)-N-(3-(6-(4-(2-(Dimethylamino)-1-(isopropyl(methyl)amino)-2-oxoethyl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
• 英文别名: N-[3-[6-[4-[(1S)-2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
• CAS: 1133432-51-5
• 化学式: C₃₅H₄₂N₆O₃S
• 分子量: 626.823
• InChiKey: KNGKJQJHVUAPTP-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-2-(4-Aminophenyl)-2-(isopropyl(methyl)amino)-N,N-dimethylacetamide 、 N-(3-(6-bromo-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以52%的产率得到(S)-(+)-N-(3-(6-(4-(2-(Dimethylamino)-1-(isopropyl(methyl)amino)-2-oxoethyl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
  参考文献：
  名称：

  CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF

  摘要：

  公式I的化合物能够抑制Btk，本文中对此进行了描述。描述了包含至少一个公式I化合物的药物组合物，以及至少一个从载体、佐剂和辅料中选择的药用辅料。描述了治疗患有对Btk活性抑制和/或B细胞活性有反应的某些疾病患者的方法。还描述了用于确定样本中存在Btk的方法。

  公开号：

  US20090082330A1

文献信息

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

  公开号：US20110059944A1

  公开（公告）日：2011-03-10

  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.

  本文描述了抑制Btk的化合物I的配方。本文还描述了包括至少一种化合物I的制药组合物，以及至少一种从载体、佐剂和赋形剂中选择的药用可接受载体。本文还描述了治疗对抑制Btk活性和/或B细胞活性敏感的某些疾病的患者的方法。本文还描述了检测样品中Btk存在的方法。
• Certain substituted pyrazinones
  申请人：CGI Pharmaceuticals, Inc.

  公开号：US07884108B2

  公开（公告）日：2011-02-08

  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.

  本文描述了一些化学式为I的化合物，它们可以抑制Btk。还描述了包含至少一种化合物I的药物组合物，以及至少一种从载体、佐剂和赋形剂中选择的药用接受者。本文还描述了治疗某些对抑制Btk活性和/或B细胞活性敏感的疾病的患者的方法。还描述了一种确定样品中Btk存在的方法。
• Certain substituted amides, method of making, and method of use thereof
  申请人：Gilead Connecticut, Inc.

  公开号：US08247550B2

  公开（公告）日：2012-08-21

  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，其具有抑制Btk的作用。本文还描述了包含至少一种化学式I化合物的制药组合物，以及至少一种从载体、佐剂和赋形剂中选择的药用可接受载体。本文还描述了治疗对Btk活性和/或B细胞活性抑制有响应的某些疾病的患者的方法。本文还描述了检测样品中Btk存在的方法。
• SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER
  申请人：Gilead Connecticut, Inc.

  公开号：EP2188267B1

  公开（公告）日：2016-08-03
• US7884108B2
  申请人：——

  公开号：US7884108B2

  公开（公告）日：2011-02-08