5-ethoxy-1-(6-{3-methyl-2-[2-(1-methyl-5-oxo-pyrrolidin-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy]-phenyl}-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid | 1579513-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-ethoxy-1-(6-{3-methyl-2-[2-(1-methyl-5-oxo-pyrrolidin-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy]-phenyl}-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
• 英文别名: 5-ethoxy-1-[6-[3-methyl-2-[[2-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]pyridin-2-yl]pyrazole-4-carboxylic acid
• CAS: 1579513-71-5
• 化学式: C₃₄H₃₇N₅O₅
• 分子量: 595.698
• InChiKey: HJJMBRVOILEIMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-methyl-5-oxo-pyrrolidine-3-carbaldehyde 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 12.5h， 以27 mg的产率得到5-ethoxy-1-(6-{3-methyl-2-[2-(1-methyl-5-oxo-pyrrolidin-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-ylmethoxy]-phenyl}-pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
  参考文献：
  名称：

  ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS

  摘要：

  本发明涉及公式（I）的化合物及其药用盐，其中R1、R2、R3、R4、R5、R6和R7如本文所定义。该发明还涉及包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和紊乱的方法，制备这些化合物的方法以及在这些过程中有用的中间体。

  公开号：

  US20140073629A1

文献信息

• Alkoxy Pyrazoles as Soluble Guanylate Cyclase Activators
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20210121473A1

  公开（公告）日：2021-04-29

  The present invention relates to compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined herein, for use in the treatment of diseases or disorders that can be alleviated by sGC activation or potentiation, selected from chronic liver diseases, Non-Alcoholic Steatohepatitis (NASH), cirrhosis and portal hypertension.
• US8906904B2
  申请人：——

  公开号：US8906904B2

  公开（公告）日：2014-12-09
• USRE46886E1
  申请人：——

  公开号：USRE46886E1

  公开（公告）日：2018-06-05
• [EN] ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS<br/>[FR] ALCOXYPYRAZOLES COMME ACTIVATEURS DE GUANYLATE CYCLASE SOLUBLE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014039434A1

  公开（公告）日：2014-03-13

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6 and R7 are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.
• [EN] ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS<br/>[FR] ALCOXY PYRAZOLES EN TANT QU'ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2020011804A1

  公开（公告）日：2020-01-16

  The present invention relates to compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6 and R7 are as defined herein, for use in the treatment of diseases or disorders that can be alleviated by sGC activation or potentiation, selected from chronic liver diseases, Non-Alcoholic Steatohepatitis (NASH), cirrhosis and portal hypertension.