N-[3-(6-{[4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | 1133433-00-7

• 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-[3-(6-{[4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
• 英文别名: N-[3-[5-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-6-oxo-1H-pyrazin-3-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
• CAS: 1133433-00-7
• 化学式: C₃₂H₃₄N₆O₃S
• 分子量: 582.726
• InChiKey: SKSKBPIRCOWKEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF
  申请人：BLOMGREN Peter A.

  公开号：US20090082330A1

  公开（公告）日：2009-03-26

  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.

  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。
• [EN] COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY<br/>[FR] COMPOSES A ACTIVITE ANTAGONISTE DE PGD2
  申请人：OXAGEN LTD

  公开号：WO2005040112A1

  公开（公告）日：2005-05-06

  Compounds of general formula (I); wherein R1, R2, R3 and R4 are independently hydrogen, halo, -C1-C6 alkyl, -O(C1-C6 alkyl), -C1-C6 alkyl(C3-C7 cycloalkyl), -CON(R9)2, -SOR9, -S02R9. -S02N(R9)2, -N(R9)2, -NR9OR9, -C02R9, COR9, -SR9, -OH, -N02 or -CN; each R9 independently hydrogen or C1-C6 alkyl; R5 and R6 are each independently hydrogen, or C1-C6 alkyl or together with the carbon atom to which they are attached form a C3-C7 cycloalkyl. group; R7 is hydrogen or C1-C6 alkyl; R8 is C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl or an aromatic moiety, any of which may optionally be substituted with one or more substituents selected from halo, -SOR13 -S02R13, -R14, -OR14, -CON(R14)2 -SOR14, -S02R14, -S02N(R14) -SO2N(R14)2, -N(R 14)2, NR14COR14, -CO2R14, COR14, -SR14, -N02 or -CN; wherein R13 is a 5 to 7 membered heterocyclic ring; and each R14 is independently hydrogen, alkyl or aryl, the aryl being optionally substituted by -R9, -OR9, -CON(R9)2, -SOR9 -S02R9, -S02N(R9)2, -N(R9)2, NR9COR9, -C02R9, -COR9, -SR9, halo, -N02 or -CN; wherein R9 is as defined above; provided that when R1 , R3 and R4 are hydrogen and R2 is hydrogen, halogen or -O(C1-C6)alkyl, R8 is not unsubstituted phenyl or phenyl substituted by halo, C1-C6 alkyl, -O(C1-C6)alkyl, -S(C1-C6)alkyl or -CO(C1-C6)alkyl; or pharmaceutically acceptable salts, hydrates, solvates, compexes or prodrugs therof are useful in the treatment of allergic diseases such as asthma, allergic rhinitis and atopic dermatitis.

  通式（I）的化合物；其中R1、R2、R3和R4独立地是氢、卤素、-C1-C6烷基、-O(C1-C6烷基)、-C1-C6烷基(C3-C7环烷基)、-CON(R9)2、-SOR9、-S02R9、-S02N(R9)2、-N(R9)2、-NR9OR9、-C02R9、COR9、-SR9、-OH、-N02或-CN；每个R9独立地是氢或C1-C6烷基；R5和R6独立地是氢或C1-C6烷基，或者与它们连接的碳原子一起形成一个C3-C7环烷基基团；R7是氢或C1-C6烷基；R8是C1-C6烷基、C2-C6烯基、C2-C6炔基或芳香基，其中任何一个可以选择地被一个或多个卤素、-SOR13、-S02R13、-R14、-OR14、-CON(R14)2、-SOR14、-S02R14、-S02N(R14)、-SO2N(R14)2、-N(R14)2、NR14COR14、-CO2R14、COR14、-SR14、-N02或-CN的取代基取代；其中R13是一个含有5至7个成员的杂环；每个R14独立地是氢、烷基或芳基，芳基可以选择地被-R9、-OR9、-CON(R9)2、-SOR9、-S02R9、-S02N(R9)2、-N(R9)2、NR9COR9、-C02R9、-COR9、-SR9、卤素、-N02或-CN取代；其中R9如上所定义；但是当R1、R3和R4是氢且R2是氢、卤素或-O(C1-C6)烷基时，R8不是未取代的苯基或被卤素、C1-C6烷基、-O(C1-C6)烷基、-S(C1-C6)烷基或-CO(C1-C6)烷基取代的苯基；或者其药学上可接受的盐、水合物、溶剂合物或前药在治疗过敏性疾病，如哮喘、过敏性鼻炎和特应性皮炎中有用。
• 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。
• 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