3-Methylisoquinoline-7-carboxylic acid | 858646-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-Methylisoquinoline-7-carboxylic acid
• CAS: 858646-62-5
• 化学式: C₁₁H₉NO₂
• 分子量: 187.19
• InChiKey: KVMFOBYHZZGKKX-UHFFFAOYSA-N

物化性质

• 沸点：
  364.6±27.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20200361920A1

  公开（公告）日：2020-11-19

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts and esters thereof: pharmaceutical compositions comprising these compounds and methods of using these compounds to treat or prevent a disease or disorder mediated as FXR modulators. Specifically, the present invention relates to isoxazole derivatives useful as agonists for FXR, and methods for their preparation and use.