({4-[4'-chloro-2'-(4-methanesulfonyl-butyrylamino)-6'-methyl-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophen-2-yl}-imino-methyl)-carbamic acid tert-butyl ester | 631910-17-3

• 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: ({4-[4'-chloro-2'-(4-methanesulfonyl-butyrylamino)-6'-methyl-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophen-2-yl}-imino-methyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[4-[3-[4-chloro-2-methyl-6-(4-methylsulfonylbutanoylamino)phenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate
• CAS: 631910-17-3
• 化学式: C₂₉H₃₄ClN₃O₇S₄
• 分子量: 700.322
• InChiKey: AZVQVPUYQOYNHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  232
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  {[4-(2'-amino-4'-chloro-6'-methyl-biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophen-2-yl]-imino-methyl}-carbamic acid tert-butyl ester 、 4-methanesulfonyl-butyryl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到({4-[4'-chloro-2'-(4-methanesulfonyl-butyrylamino)-6'-methyl-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophen-2-yl}-imino-methyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  [EN] NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS
  [FR] NOUVELLES AMIDINES DE THIOPHENE, COMPOSITIONS DE CES AMIDINES ET PROCEDE POUR TRAITER DES MALADIES ET DES ETATS MEDIES PAR LE COMPLEMENT

  摘要：

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本规范中定义的芳香族或杂环芳基。

  公开号：

  WO2003099805A1

文献信息

• Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20040009995A1

  公开（公告）日：2004-01-15

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 and R 7 are defined in the specification, Z is SO or SO 2 , and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用公式I的化合物的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中在规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本文中定义的芳香族或杂环芳基。
• Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US07109354B2

  公开（公告）日：2006-09-19

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4 and R7 are defined in the specification, Z is SO or SO2, and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗经典途径介导的急性或慢性疾病症状的方法，包括向需要该治疗的哺乳动物中注射化合物I的治疗有效量或其溶剂合物、水合物或药学上可接受的盐；其中R1、R2、R3、R4和R7在说明书中定义，Z为SO或SO2，Ar是如此定义的芳香或杂环芳香基团。
• NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1549632A1

  公开（公告）日：2005-07-06
• EP1549632A4
  申请人：——

  公开号：EP1549632A4

  公开（公告）日：2005-11-09
• US7138530B2
  申请人：——

  公开号：US7138530B2

  公开（公告）日：2006-11-21