[3'-(5-Carbamimidoyl-2-methylsulfanyl-thiophene-3-sulfonyl)-6-methyl-biphenyl-2-ylmethoxy]-acetic acid trifluoroacetate | 631908-34-4

• 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: [3'-(5-Carbamimidoyl-2-methylsulfanyl-thiophene-3-sulfonyl)-6-methyl-biphenyl-2-ylmethoxy]-acetic acid trifluoroacetate
• 英文别名: [3'-(5-carbamimidoyl-2-methylsulfanyl-thiophene-3-sulfonyl)-6-methyl-biphenylylmethoxy]-acetic acid trifluoroacetate；2-[[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]methoxy]acetic acid;2,2,2-trifluoroacetic acid
• CAS: 631908-34-4
• 化学式: C₂HF₃O₂*C₂₂H₂₂N₂O₅S₃
• 分子量: 604.649
• InChiKey: HRWIUGIOLKBFCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  230
• 氢给体数：
  4
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  {[4-(3-bromo-benzenesulfonyl)-5-methylsulfanyl-thiophen-2-yl]-imino-methyl}-carbamic acid tert-butyl ester 、 [4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyloxy]-acetic acid tert-butyl ester 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 在 Pd(PPh3)4 sodium carbonate 、 三氟乙酸 作用下， 以 乙醇 、 甲苯 为溶剂， 以38%的产率得到[3'-(5-Carbamimidoyl-2-methylsulfanyl-thiophene-3-sulfonyl)-6-methyl-biphenyl-2-ylmethoxy]-acetic acid trifluoroacetate
  参考文献：
  名称：

  Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions

  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。

  公开号：

  US20040009995A1

文献信息

• [EN] NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS<br/>[FR] NOUVELLES AMIDINES DE THIOPHENE, COMPOSITIONS DE CES AMIDINES ET PROCEDE POUR TRAITER DES MALADIES ET DES ETATS MEDIES PAR LE COMPLEMENT
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2003099805A1

  公开（公告）日：2003-12-04

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

  公开号：US07138530B2

  公开（公告）日：2006-11-21

  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.

  本发明揭示了一种治疗由补体级联反应的经典途径介导的急性或慢性疾病症状的方法，包括向需要此类治疗的哺乳动物施用公式（I）的化合物或其溶剂化物、水合物或药学上可接受的盐的治疗有效量；其中R1、R2、R3、R4和R7在规范中有定义，Z为SO或SO2，Ar为芳香或杂芳基，如规范中所定义。
• 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