5-苯基-4H-[1,2,4]噻唑-3-羧酸 | 7200-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-苯基-4H-[1,2,4]噻唑-3-羧酸
• 中文别名: 5-苯基-4H-1,2,4-三唑-3-羧酸；DL-精氨酸
• 英文名称: 3-Phenyl-1,2,4-triazol-5-carbonsaeure
• 英文别名: 3-Phenyl-s-triazol-5-carbonsaeure；5-Phenyl-1,2,4-triazol-3-carboxylsaeure；5-phenyl-2H-[1,2,4]triazole-3-carboxylic acid；5-Phenyl-1H-1,2,4-triazole-3-carboxylic acid；3-phenyl-1H-1,2,4-triazole-5-carboxylic acid
• CAS: 7200-46-6
• 化学式: C₉H₇N₃O₂
• mdl: MFCD10696476
• 分子量: 189.173
• InChiKey: GFGNJPGMLRGJBI-UHFFFAOYSA-N

物化性质

• 熔点：
  114 °C (decomp)
• 沸点：
  482.8±28.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

文献信息

• CXCR7 ANTAGONISTS
  申请人：ChemoCentryx, Inc.

  公开号：US20140154179A1

  公开（公告）日：2014-06-05

  Compounds having formula I, or pharmaceutically acceptable salts, hydrates or N-oxides thereof are provided and are useful for binding to CXCR7, and treating diseases that are dependent, at least in part, on CXCR7 activity. Accordingly, the present invention provides in further aspects, compositions containing one or more of the above-noted compounds in admixture with a pharmaceutically acceptable excipient.

  提供具有化学式I的化合物，或其药用可接受的盐、水合物或N-氧化物，并且这些化合物可用于与CXCR7结合，治疗部分或完全依赖于CXCR7活性的疾病。因此，根据本发明的进一步方面，提供含有上述化合物之一或多个的组合物与药用可接受的赋形剂混合物。
• Triazole-derivatives as factor Xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1479679A1

  公开（公告）日：2004-11-24

  The present invention relates to compounds of the formulae I and II, in which R0; R1; R2; R3; Q; J1; J2; J3; J4; J5; V; G and M have the meanings indicated in the claims. The compounds of the formulae I and II are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formulae I and II, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及具有式I和II的化合物，其中R0; R1; R2; R3; Q; J1; J2; J3; J4; J5; V; G和M具有索权要求中所指示的含义。具有式I和II的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于因子Xa和/或因子VIIa的不良活性存在或需要抑制因子Xa和/或因子VIIa的治疗或预防的情况。此外，本发明还涉及制备具有式I和II的化合物的方法，它们的使用，特别是作为药物中的活性成分，以及包含它们的制剂。
• CXCR7 antagonists
  申请人：CHEMOCENTRYX, INC.

  公开号：US10287292B2

  公开（公告）日：2019-05-14

  Compounds having formula I, or pharmaceutically acceptable salts, hydrates or N-oxides thereof are provided and are useful for binding to CXCR7, and treating diseases that are dependent, at least in part, on CXCR7 activity. Accordingly, the present invention provides in further aspects, compositions containing one or more of the above-noted compounds in admixture with a pharmaceutically acceptable excipient.

  具有式 I 的化合物、 本发明提供了具有式 I 的化合物或其药学上可接受的盐、水合物或 N-氧化物，可用于与 CXCR7 结合，治疗至少部分依赖于 CXCR7 活性的疾病。因此，本发明在进一步的方面提供了含有一种或多种上述化合物与药学上可接受的赋形剂混合的组合物。
• TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1628971A1

  公开（公告）日：2006-03-01
• US7223780B2
  申请人：——

  公开号：US7223780B2

  公开（公告）日：2007-05-29

表征谱图