2-(3-{[3-(2-dimethylaminoethoxy)-5-ethyl-2-fluorophenyl]-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-1-yl)benzoic acid trifluoroacetate | 951803-20-6

• 分子结构分类: 有机化合物
• 英文名称: 2-(3-{[3-(2-dimethylaminoethoxy)-5-ethyl-2-fluorophenyl]-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-1-yl)benzoic acid trifluoroacetate
• 英文别名: 2-[3-[[3-[2-(dimethylamino)ethoxy]-5-ethyl-2-fluorophenyl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
• CAS: 951803-20-6
• 化学式: C₂HF₃O₂*C₃₁H₃₂FN₇O₅
• 分子量: 715.661
• InChiKey: IJECQMNMZOLFMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.09
• 重原子数：
  51
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  183
• 氢给体数：
  4
• 氢受体数：
  15

文献信息

• Triazolone derivatives
  申请人：Clark Richard

  公开号：US20080015199A1

  公开（公告）日：2008-01-17

  A Compound represented by the following general formula (1), salts thereof or hydrates of the foregoing is a novel compound useful for treatment and/or prevention of diseases associated with thrombus formation, and which is safer with suitable physicochemical stability. [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.; and Z 1 and Z 2 each independently represent hydrogen]

  以下一般式（1）表示的化合物，其盐或上述化合物的水合物是一种新型化合物，可用于治疗和/或预防与血栓形成相关的疾病，并且具有适当的物理化学稳定性，更安全。 [其中R1a，R1b，R1c和R1d分别独立表示氢等；R2表示可选择取代的苯基等；R3表示可选择取代的C6-10芳基等；Z1和Z2分别独立表示氢]
• TRIAZOLONE DERIVATIVES
  申请人：CLARK Richard

  公开号：US20100190783A1

  公开（公告）日：2010-07-29

  A Compound represented by the following general formula (1): 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.; and Z 1 and Z 2 each independently represent hydrogen or salts thereof or hydrates of the foregoing.

  以下是通式（1）表示的化合物：其中R1a，R1b，R1c和R1d各自独立地表示氢等；R2表示可选取代的苯基等；R3表示可选取代的C6-10芳基等；Z1和Z2各自独立地表示氢或其盐或其水合物。
• Triazolone derivative
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2194046A1

  公开（公告）日：2010-06-09

  A Compound represented by the following general formula (1), salts thereof or hydrates of the foregoing is a novel compound useful for treatment and/or prevention of diseases associated with thrombus formation, and which is safer with suitable physicochemical stability. [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.; and Z1 and Z2 each independently represent hydrogen]

  由以下通式（1）代表的化合物、其盐类或前述化合物的水合物是一种新型化合物，可用于治疗和/或预防与血栓形成有关的疾病，且具有更高的安全性和适当的理化稳定性。 [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 和 Z2 各自独立地代表氢］
• US7816522B2
  申请人：——

  公开号：US7816522B2

  公开（公告）日：2010-10-19
• US7928228B2
  申请人：——

  公开号：US7928228B2

  公开（公告）日：2011-04-19