(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide | 762286-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
• CAS: 762286-19-1
• 化学式: C₁₉H₃₆N₄O
• 分子量: 336.521
• InChiKey: ITTGAFZVLCIDSH-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  38.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide 、 alkaline earth salt of/the/ methylsulfuric acid 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Bis(aminopyrrolidine)-derived ureas (APUs) as potent MCH1 receptor antagonists

  摘要：

  Ureas derived from two substituted 3-aminopyrrolidine subunits were prepared as constrained analogs of a linear lead compound and tested as antagonists of the MCH1 receptor. The series was optimized for substitution and stereochemistry to generate a functional antagonist with a K-i of 3.3 nM and IC50 of 12 nM (GTPgammaS). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.036
• 作为产物：
  描述：

  Methyl-[(S)-1-((R)-methyl-pyrrolidin-3-yl-carbamoyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester 在 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
  参考文献：
  名称：

  Bis(aminopyrrolidine)-derived ureas (APUs) as potent MCH1 receptor antagonists

  摘要：

  Ureas derived from two substituted 3-aminopyrrolidine subunits were prepared as constrained analogs of a linear lead compound and tested as antagonists of the MCH1 receptor. The series was optimized for substitution and stereochemistry to generate a functional antagonist with a K-i of 3.3 nM and IC50 of 12 nM (GTPgammaS). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.036

文献信息

• Bis(aminopyrrolidine)-derived ureas (APUs) as potent MCH1 receptor antagonists
  作者：Jonathan Grey、Brian Dyck、Martin W. Rowbottom、Junko Tamiya、Troy D. Vickers、Mingzhu Zhang、Liren Zhao、Christopher E. Heise、David Schwarz、John Saunders、Val S. Goodfellow

  DOI：10.1016/j.bmcl.2004.12.036

  日期：2005.2

  Ureas derived from two substituted 3-aminopyrrolidine subunits were prepared as constrained analogs of a linear lead compound and tested as antagonists of the MCH1 receptor. The series was optimized for substitution and stereochemistry to generate a functional antagonist with a K-i of 3.3 nM and IC50 of 12 nM (GTPgammaS). (C) 2004 Elsevier Ltd. All rights reserved.