4'-amino-biphenyl-2-sulfonic acid amide | 221290-17-1

• 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'-amino-biphenyl-2-sulfonic acid amide
• 英文别名: 4-(2-aminosulfonylphenyl)aniline；4'-Amino[1,1'-biphenyl]-2-sulfonamide；2-(4-aminophenyl)benzenesulfonamide
• CAS: 221290-17-1
• 化学式: C₁₂H₁₂N₂O₂S
• 分子量: 248.305
• InChiKey: XHVMLERESABDIR-UHFFFAOYSA-N

物化性质

• 沸点：
  489.8±47.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4'-amino-biphenyl-2-sulfonic acid amide 在 N,N-二异丙基乙胺 、 tin(ll) chloride 、 Kaiser oxime resin 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 30.0h， 生成 3-(3-Amino-4-chloro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide
  参考文献：
  名称：

  Discovery of 3-Amino-4-Chlorophenyl P1 as a novel and potent benzamidine mimic via solid-phase synthesis of an isoxazoline library

  摘要：

  In an effort to identify orally bioavailable factor Xa inhibitors, two isoxazolines libraries were prepared to scan for novel P1 ligands. From this work, 4-chloro-3-aniline was identified as a novel and potent benzamidine mimic. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00130-6
• 作为产物：
  描述：

  2-(4-氨基苯基)-N-叔丁基苯磺酰胺 在 三氟乙酸 作用下， 反应 7.0h， 生成 4'-amino-biphenyl-2-sulfonic acid amide
  参考文献：
  名称：

  Discovery of 3-Amino-4-Chlorophenyl P1 as a novel and potent benzamidine mimic via solid-phase synthesis of an isoxazoline library

  摘要：

  In an effort to identify orally bioavailable factor Xa inhibitors, two isoxazolines libraries were prepared to scan for novel P1 ligands. From this work, 4-chloro-3-aniline was identified as a novel and potent benzamidine mimic. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00130-6

文献信息

• Benzamides and related inhibitors of factor Xa
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US09108922B2

  公开（公告）日：2015-08-18

  Novel benzamide compounds including their pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrug derivatives having activity against mammalian factor Xa are described. Compositions containing such compounds are also described. The compounds and compositions are useful in vitro or in vivo for preventing or treating coagulation disorders.

  描述了包括其药用可接受异构体、盐、水合物、溶剂合物和前药衍生物在内的新型苯甲酰胺化合物，具有对哺乳动物凝血因子Xa的活性。还描述了含有这些化合物的组合物。这些化合物和组合物在体外或体内用于预防或治疗凝血障碍。
• [EN] INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE<br/>[FR] INHIBITEURS DE FACTEUR XA ET AUTRES SERINE PROTEASES INTERVENANT DANS LA CASCADE DE COAGULATION
  申请人：WARNER LAMBERT CO

  公开号：WO2004024679A1

  公开（公告）日：2004-03-25

  This invention discloses amino acid derivatives which display inhibitory effects on the serine protease factor Xa. The invention also discloses pharmaceutically acceptable salts of the compounds, pharmaceutically acceptable compositions comprising the compounds or their salts, methods for the preparation of the compounds, and methods of using them as therapeutic agents for treating or preventing disease states in mammals characterized by abnormal thrombosis.

  该发明揭示了显示对丝氨酸蛋白酶Xa具有抑制作用的氨基酸衍生物。该发明还揭示了该化合物的药用盐、包含该化合物或其盐的药用组合物、制备该化合物的方法，以及将其用作治疗或预防哺乳动物异常血栓形成疾病状态的治疗剂的方法。
• N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives
  申请人：——

  公开号：US20030162814A1

  公开（公告）日：2003-08-28

  The novel compounds of formula (I), wherein R 1 , R 2 , R 2′ , R 2″ , R 3 , R 4 , R 5 , R 5′ , R 5″ , R 5′″ , R″″, X, Y, U, V and W have the meanings given in patent claim no. 1, are inhibitors of the coagulation factors Xa and VIIa and can be used for treating thromboses, myocardial infarction, arteriosclerosis, inflammations, apoplexy, angina pectoris, restenosis following angioplasty, intermittent claudication, tumours, tumour diseases and/or tumour metastases.

  化合物的新颖结构如公式（I）所示，其中R1、R2、R2'、R2"、R3、R4、R5、R5'、R5"、R5'"、R""、X、Y、U、V和W的含义如专利权要求第1项所述，是凝血因子Xa和VIIa的抑制剂，可用于治疗血栓、心肌梗死、动脉硬化、炎症、中风、心绞痛、血管成形术后再狭窄、间歇性跛行、肿瘤、肿瘤疾病和/或肿瘤转移。
• [EN] BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa<br/>[FR] BENZAMIDES ET INHIBITEURS ASSOCIES DU FACTEUR XA
  申请人：COR THERAPEUTICS INC

  公开号：WO2001064643A2

  公开（公告）日：2001-09-07

  Benzamide compounds of the formulae (VI) and (VII), where the variables are as defined in the claims, including their pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrug derivatives having activity against mammalian factor Xa are described. Compositions containing such compounds are also described. The compounds and compositions are useful in vitro or in vivo for preventing or treating coagulation disorders.

  本文描述了公式（VI）和（VII）的苯甲酰胺化合物，其中变量如权利要求书中所定义，包括其药学上可接受的异构体、盐、水合物、溶剂合物和前药衍生物，具有对哺乳动物因子Xa的活性。还描述了含有这些化合物的组合物。这些化合物和组合物在体内或体外用于预防或治疗凝血障碍。
• Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade
  申请人：Pfizer Inc.

  公开号：US20040167131A1

  公开（公告）日：2004-08-26

  This invention discloses amino acid derivatives which display inhibitory effects on the serine protease factor Xa. The invention also discloses pharmaceutically acceptable salts of the compounds, pharmaceutically acceptable compositions comprising the compounds or their salts, methods for the preparation of the compounds, and methods of using them as therapeutic agents for treating or preventing disease states in mammals characterized by abnormal thrombosis.

  本发明揭示了一种氨基酸衍生物，其显示出对丝氨酸蛋白酶Xa的抑制效果。该发明还揭示了该化合物的药学上可接受的盐、包含该化合物或其盐的药学上可接受的组合物，制备该化合物的方法以及将其用作治疗或预防哺乳动物异常血栓病状态的治疗剂的方法。