Methyl 8-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-5-carboxylate | 748805-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: Methyl 8-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-5-carboxylate
• CAS: 748805-19-8
• 化学式: C₂₂H₂₃ClN₆O₂
• 分子量: 438.917
• InChiKey: BKJSIODGIVFGTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Vasopressin receptor antagonists and products and methods related thereto
  申请人：BlackThorn Therapeutics, Inc.

  公开号：US11186577B2

  公开（公告）日：2021-11-30

  Compounds are provided that antagonize vasopressin receptors, particularly the V1a receptor products containing such compounds, as well as to methods of their use and synthesis. Such compounds have the structure of Formula (I), or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof: wherein A, B, G, R1, R1b, R1c, R2 and X are as defined herein.

  本研究提供了可拮抗血管加压素受体的化合物，特别是含有此类化合物的 V1a 受体产品，以及使用和合成此类化合物的方法。此类化合物具有式（I）结构，或其药学上可接受的异构体、外消旋体、水合物、溶液、同位素或盐： 其中 A、B、G、R1、R1b、R1c、R2 和 X 如本文所定义。
• VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO
  申请人：BlackThorn Therapeutics, Inc.

  公开号：US20190048013A1

  公开（公告）日：2019-02-14

  Compounds are provided that antagonize vasopressin receptors, particularly the V1a receptor products containing such compounds, as well as to methods of their use and synthesis. Such compounds have the structure of Formula (I), or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof: wherein A, B, G, R 1 , R 1b , R 1c , R 2 and X are as defined herein.