4-(5-环丙基-1,2,4-噁二唑-3-基)苯甲酸 | 915920-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(5-环丙基-1,2,4-噁二唑-3-基)苯甲酸
• 中文别名: 4-(5-环丙基-1,2,4-噁唑-3-基)苯甲酸
• 英文名称: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
• CAS: 915920-27-3
• 化学式: C₁₂H₁₀N₂O₃
• mdl: MFCD08691678
• 分子量: 230.223
• InChiKey: VNTDAESCEVFXGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(5-环丙基-1,2,4-噁二唑-3-基)苯甲酸 、 (S)-N6-(2-((1R,4S)-4-aminocyclohexyl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine tri(trifluoroacetate) 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 trans-N-(4-2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)ethylcyclohexyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
  参考文献：
  名称：

  High-affinity and selective dopamine D3 receptor full agonists

  摘要：

  We have designed, synthesized and evaluated a series of new compounds with the goal to identify potent and selective D-3 ligands. The two most potent and selective new D-3 ligands are compounds 38 and 52, which bind to the D-3 receptors with a K-i value of <1 nM and display a selectivity of 450-494 times over the D-2 receptors and >10,000 times over the D-1 receptors. Both 38 and 52 are full agonists with high potency at the D-3 receptor in a D-3 functional assay. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.003

文献信息

• Piperazine derivatives as MAGL inhibitors
  申请人：Hoffmann-La Roche Inc.

  公开号：US11390610B2

  公开（公告）日：2022-07-19

  The invention provides new heterocyclic compounds having the general Formula (I), or a pharmaceutically acceptable salt thereof, wherein R1, R2, X, Y1 and Y2 are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.

  本发明提供了具有通式（I）的新杂环化合物或其药学上可接受的盐、 其中 R1、R2、X、Y1 和 Y2 如本文所述。
• PIPERAZINE DERIVATIVES AS MAGL INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3694840B1

  公开（公告）日：2021-08-04
• COMPOUNDS, COMPOSITIONS, AND METHODS
  申请人：[en]DENALI THERAPEUTICS INC.

  公开号：WO2024108147A1

  公开（公告）日：2024-05-23

  The present disclosure relates generally to small molecule modulators of ion channels and their use as therapeutic agents.