2,5-二甲基-1-(4h-1,2,4-噻唑-4-基)-1H-吡咯-3-甲醛 | 453557-49-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,5-二甲基-1-(4h-1,2,4-噻唑-4-基)-1H-吡咯-3-甲醛
• 英文名称: 2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde
• 英文别名: 2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrole-3-carbaldehyde
• CAS: 453557-49-8
• 化学式: C₉H₁₀N₄O
• mdl: MFCD02187166
• 分子量: 190.2
• InChiKey: PXZWZLYLNTZEBR-UHFFFAOYSA-N

物化性质

• 熔点：
  230℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  52.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

文献信息

• [EN] NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN<br/>[FR] NOUVEAUX COMPOSES DE PYRIDIN-2-ONE UTILISABLES EN TANT QU'INHIBITEURS DE THROMBINE
  申请人：ASTRAZENECA AB

  公开号：WO2005075424A1

  公开（公告）日：2005-08-18

  There is provided a compound of formula I, wherein the dashed line, R1, R2, R3a, R3b, A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供了一个式I的化合物，其中虚线、R1、R2、R3a、R3b、A、D、E、G和L的含义如描述中所示，这些化合物可用作竞争性蛋白酶抑制剂，如凝血酶，或者可用作其前药，特别适用于需要抑制凝血酶有益的情况的治疗（例如需要或希望抑制凝血酶的情况，如血栓栓塞等情况，以及需要抗凝治疗的情况）。
• Pyridin-2-one compounds useful as inhibitors of thrombin
  申请人：Bayrakdarian Malken

  公开号：US20070161643A1

  公开（公告）日：2007-07-12

  There is provided a compound of formula I wherein the dashed line, R 1 , R 2 , R 3a , R 3b , A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供了一种I式化合物，其中虚线，R1，R2，R3a，R3b，A，D，E，G和L的含义在说明书中给出，这些化合物可用作竞争性蛋白酶抑制剂，例如凝血酶，或可用作其前药，因此特别适用于治疗需要抑制凝血酶的情况（例如需要或期望抑制凝血酶的血栓栓塞等疾病，以及需要抗凝治疗的情况）。
• NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN
  申请人：AstraZeneca AB

  公开号：EP1713774A1

  公开（公告）日：2006-10-25