2-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

• 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: 2-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
• 化学式: C₂₆H₂₇N₅O₂
• 分子量: 441.5
• InChiKey: DTUGKIKZMXZHQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  65.3
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• PULMONARY HYPERTENSION TREATING AGENT
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160368895A1

  公开（公告）日：2016-12-22

  [Problem] The present invention addresses the problem of providing a compound that is useful for preventing or treating diseases associated with malfunctioning of PGI2 receptors, in particular, pulmonary hypertension. [Solution] A positive allosteric regulator of a PGI2 receptor which comprises a compound represented by formula (1) or a pharmaceutically acceptable salt, hydrate or solvate thereof. (1) (In the formula, R1 is a branched chain or cyclic alkyl or alkenyl having 3 to 10 carbon atoms which may be substituted, R2 is a hydrogen atom or an alkyl having 1 to 6 carbon atoms which may be substituted, R3 is 1 to 4 substituents which are the same or different independently selected from the group consisting of a hydrogen atom, a halogen atom, an alkyl having 1 to 6 carbon atoms which may be substituted, and an alkoxy having 1 to 6 carbon atoms which may be substituted, and A is an aryl which may be substituted or a heteroaryl which may be substituted.)

  [问题] 本发明解决了提供一种化合物的问题，该化合物可用于预防或治疗与PGI2受体功能失调相关的疾病，特别是肺动脉高压。[解决方案] PGI2受体的正向变构调节剂，包括由式（1）表示的化合物或其药用可接受的盐、水合物或溶剂。 (1) （在该式中，R1是具有3到10个碳原子的支链烷基或环烷基，可能被取代，R2是氢原子或具有1到6个碳原子的烷基，可能被取代，R3是1到4个取代基，它们是相同或不同地独立选择自由基团，包括氢原子、卤原子、可能被取代的具有1到6个碳原子的烷基和可能被取代的具有1到6个碳原子的烷氧基，A是可能被取代的芳基或可能被取代的杂环芳基。）