3-({4-[5-(1-methyl-5-phenyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzyl}amino)propanoic acid | 1622170-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-({4-[5-(1-methyl-5-phenyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzyl}amino)propanoic acid
• 英文别名: 3-[[4-[5-(1-Methyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propanoic acid
• CAS: 1622170-66-4
• 化学式: C₂₂H₂₁N₅O₃
• 分子量: 403.44
• InChiKey: VZIRHCQUOQFVKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• SUBSTITUTED 1H-PYRAZOL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS
  申请人：Allergan, Inc.

  公开号：US20140235588A1

  公开（公告）日：2014-08-21

  The present invention relates to substituted 1H-pyrazol-1,2,4-oxadiazole derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.

  本发明涉及取代的1H-吡唑-1,2,4-噁二唑衍生物，其制备过程，含有它们的制药组合物以及它们作为调节鞘氨醇-1-磷酸受体的药物的用途。
• [EN] SUBSTITUTED 1H-PYRAZOL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE 1H-PYRAZOL-1,2,4-OXADIAZOLE SUBSTITUÉS EN TANT QUE MODULATEURS DES RÉCEPTEURS DE LA SPHINGOSINE
  申请人：ALLERGAN INC

  公开号：WO2014127141A1

  公开（公告）日：2014-08-21

  The present invention relates to substituted 1 H-pyrazol-1,2,4- oxadiazole derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-l-phosphate receptors. Claimed are compound srepresented by Formula II, its enantiomers, diastereoisomers, tautomers, or a pharmaceutically acceptable salt thereof. An example for the above Markush formula is: Example 5