4-(1-(3,4-bisallyloxyphenyl)-2-oxo-2-(N'-(pyridine-4-carbonyl)hydrazino)ethylamino)benzamidine trifluoroacetate | 883576-53-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(1-(3,4-bisallyloxyphenyl)-2-oxo-2-(N'-(pyridine-4-carbonyl)hydrazino)ethylamino)benzamidine trifluoroacetate
• 英文别名: 4-[[1-[3,4-Bis(prop-2-enoxy)phenyl]-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]amino]benzenecarboximidamide;2,2,2-trifluoroacetic acid
• CAS: 883576-53-2
• 化学式: C₂HF₃O₂*C₂₇H₂₈N₆O₄
• 分子量: 614.581
• InChiKey: OSQMJGXYGVSUET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  189
• 氢给体数：
  6
• 氢受体数：
  12

文献信息

• Hydrazide Derivatives
  申请人：Clark Richard

  公开号：US20080132507A1

  公开（公告）日：2008-06-05

  A compound represented by the following general formula (1) or a salt thereof or a hydrate of the foregoing is safe while exhibiting suitable physicochemical stability, and is useful as therapeutic or prophylactic agents for diseases associated with thrombus formation. wherein R 1a , R 1b , R 1c and R 1d each independently represent hydrogen, etc., R 2 represents optionally substituted phenyl, etc., R 3 represents optionally substituted C6-10 aryl, etc., Z 1 , Z 2 and Z 3 each independently represent hydrogen, etc., Z 4 represents hydrogen, etc. and X represents a single bond or —CO—, etc.

  以下通式（1）所代表的化合物、其盐或其水合物均具有适当的物理化学稳定性，且安全，可用作与血栓形成有关的疾病的治疗或预防药物。其中，R1a、R1b、R1c和R1d各自独立地代表氢等；R2代表可选的取代苯基等；R3代表可选的取代的C6-10芳基等；Z1、Z2和Z3各自独立地代表氢等；Z4代表氢等；X代表单键或—CO—等。
• HYDRAZIDE DERIVATIVES
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1810965A1

  公开（公告）日：2007-07-25

  A compound represented by the following general formula (1) or a salt thereof or a hydrate of the foregoing is safe while exhibiting suitable physicochemical stability, and is useful as therapeutic or prophylactic agents for diseases associated with thrombus formation. wherein R1a, R1b, R1c and R1d each independently represent hydrogen, etc., R2 represents optionally substituted phenyl, etc., R3 represents optionally substituted C6-10 aryl, etc., Z1, Z2 and Z3 each independently represent hydrogen, etc., Z4 represents hydrogen, etc. and X represents a single bond or -CO-, etc.

  由以下通式（1）代表的化合物或其盐或前述化合物的水合物是安全的，同时表现出适当的理化稳定性，可用作与血栓形成有关的疾病的治疗或预防药物。 其中 R1a、R1b、R1c 和 R1d 各自独立地代表氢等，R2 代表任选取代的苯基等，R3 代表任选取代的 C6-10 芳基等，Z1、Z2 和 Z3 各自独立地代表氢等，Z4 代表氢等，X 代表单键或 -CO- 等。