(2Z)-2-cyclopropyl-3-(dimethylamino)prop-2-enenitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2Z)-2-cyclopropyl-3-(dimethylamino)prop-2-enenitrile
• 英文别名: Cyclopropaneacetonitrile,alpha-[(dimethylamino)methylene]-(9ci)；(Z)-2-cyclopropyl-3-(dimethylamino)prop-2-enenitrile
• 化学式: C₈H₁₂N₂
• 分子量: 136.197
• InChiKey: IQKDHONDFAOBOB-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2Z)-2-cyclopropyl-3-(dimethylamino)prop-2-enenitrile 、 -[(2-氟苯基甲基]-1H-吡唑并[3,4-b]吡啶-3-甲脒 反应 12.0h， 以23.4%的产率得到月桂41-2272
  参考文献：
  名称：

  NO-Independent stimulators of soluble guanylate cyclase

  摘要：

  SARs around a novel type of guanylate cyclase stimulator which act by a mechanism different from classical NO-donors are described. Several pyrazolopyridinylpyrimidines are shown to relax aortic rings and revealed a long-lasting blood pressure lowering effect in rats after oral application. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00073-7
• 作为产物：
  描述：

  Bredereck 试剂 、 环丙乙腈 反应 46.0h， 以83.5%的产率得到(2Z)-2-cyclopropyl-3-(dimethylamino)prop-2-enenitrile
  参考文献：
  名称：

  NO-Independent stimulators of soluble guanylate cyclase

  摘要：

  SARs around a novel type of guanylate cyclase stimulator which act by a mechanism different from classical NO-donors are described. Several pyrazolopyridinylpyrimidines are shown to relax aortic rings and revealed a long-lasting blood pressure lowering effect in rats after oral application. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00073-7

文献信息

• [EN] BENZYL SUBSTITUTED INDAZOLES<br/>[FR] INDAZOLES À SUBSTITUANTS BENZYLE
  申请人：BAYER PHARMA AG

  公开号：WO2016041925A1

  公开（公告）日：2016-03-24

  Compounds of formula (I) and their use as pharmaceuticals.

  化合物的分子式(I)及其作为药物的用途。
• BENZYL SUBSTITUTED INDAZOLES
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20170275270A1

  公开（公告）日：2017-09-28

  Compounds of formula (I) and their use as pharmaceuticals.
• US6833364B1
  申请人：——

  公开号：US6833364B1

  公开（公告）日：2004-12-21
• NO-Independent stimulators of soluble guanylate cyclase
  作者：Alexander Straub、Johannes-Peter Stasch、Cristina Alonso-Alija、Jordi Benet-Buchholz、Bernhard Ducke、Achim Feurer、Chantal Fürstner

  DOI：10.1016/s0960-894x(01)00073-7

  日期：2001.3

  SARs around a novel type of guanylate cyclase stimulator which act by a mechanism different from classical NO-donors are described. Several pyrazolopyridinylpyrimidines are shown to relax aortic rings and revealed a long-lasting blood pressure lowering effect in rats after oral application. (C) 2001 Elsevier Science Ltd. All rights reserved.