2-fluoro-4,5-diaminobenzamidine | 497147-91-8

• 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: 2-fluoro-4,5-diaminobenzamidine
• 英文别名: 4,5-Diamino-2-fluorobenzenecarboximidamide
• CAS: 497147-91-8
• 化学式: C₇H₉FN₄
• 分子量: 168.174
• InChiKey: COPNKXJEGLHUPM-UHFFFAOYSA-N

物化性质

• 沸点：
  372.5±52.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-fluoro-4,5-diaminobenzamidine 在 palladium on activated charcoal 氢气 、 sodium thiosulfate 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 CRA-10950
  参考文献：
  名称：

  2-(2-Hydroxy-3-alkoxyphenyl)-1H-benzimidazole-5-carboxamidine derivatives as potent and selective urokinase-type plasminogen activator inhibitors

  摘要：

  The development of potent and selective urokinase-type plasminogen activator (uPA) inhibitors based on the lead molecule 2-(2-hydroxy-3-ethoxyphenyl)-1H-benzimidazole-5-carboxamidine (3a) is described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00311-6
• 作为产物：
  描述：

  4,5-二氨基-2-氟苯甲腈 在 盐酸 作用下， 生成 2-fluoro-4,5-diaminobenzamidine
  参考文献：
  名称：

  2-(2-Hydroxy-3-alkoxyphenyl)-1H-benzimidazole-5-carboxamidine derivatives as potent and selective urokinase-type plasminogen activator inhibitors

  摘要：

  The development of potent and selective urokinase-type plasminogen activator (uPA) inhibitors based on the lead molecule 2-(2-hydroxy-3-ethoxyphenyl)-1H-benzimidazole-5-carboxamidine (3a) is described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00311-6

文献信息

• 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors
  申请人：Kolesnikov Aleksandr

  公开号：US20050203094A1

  公开（公告）日：2005-09-15

  The present invention provides 2-[5-(5-carbamimidoyl-1H-heteroaryl)]-6-hydroxy-biphenyl-3-yl derivatives of formula (I): I That are Factor VIIa and Xa inhibitors

  本发明提供了式(I)的2-[5-(5-氨基甲酰基-1H-杂环芳基)]-6-羟基联苯-3-基衍生物，该衍生物具有抑制凝血因子VIIa和Xa的作用。
• 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS
  申请人：AXYS PHARMACEUTICALS, INC.

  公开号：EP1474400A1

  公开（公告）日：2004-11-10
• [EN] 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS<br/>[FR] DERIVES 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL COMME INHIBITEURS DU FACTEUR VIIA
  申请人：AXYS PHARM INC

  公开号：WO2003068756A1

  公开（公告）日：2003-08-21

  The present invention provides 2-[5-(5-carbamimidoyl-1 H-heteroaryl)]-6-hydroxy-biphenyl-3-yl derivativesof formula (I): I That are Factor Vlla and Xa inhibitors
• 2-(2-Hydroxy-3-alkoxyphenyl)-1H-benzimidazole-5-carboxamidine derivatives as potent and selective urokinase-type plasminogen activator inhibitors
  作者：Richard L. Mackman、Hon C. Hui、J.Guy Breitenbucher、Bradley A. Katz、Christine Luong、Arnold Martelli、Danny McGee、Kesavan Radika、Martin Sendzik、Jeffrey R. Spencer、Paul A. Sprengeler、James Tario、Erik Verner、Jing Wang

  DOI：10.1016/s0960-894x(02)00311-6

  日期：2002.8

  The development of potent and selective urokinase-type plasminogen activator (uPA) inhibitors based on the lead molecule 2-(2-hydroxy-3-ethoxyphenyl)-1H-benzimidazole-5-carboxamidine (3a) is described. (C) 2002 Elsevier Science Ltd. All rights reserved.