((S)-1-{[(R)-1-(2-Hydroxy-ethyl)-pyrrolidin-3-yl]-methyl-carbamoyl}-pyrrolidin-3-yl)-methyl-carbamic acid tert-butyl ester | 848464-75-5

• 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: ((S)-1-{[(R)-1-(2-Hydroxy-ethyl)-pyrrolidin-3-yl]-methyl-carbamoyl}-pyrrolidin-3-yl)-methyl-carbamic acid tert-butyl ester
• CAS: 848464-75-5
• 化学式: C₁₈H₃₄N₄O₄
• 分子量: 370.492
• InChiKey: PNSXJVFVFXQBNO-CABCVRRESA-N

物化性质

• 沸点：
  510.3±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  76.56
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ((S)-1-{[(R)-1-(2-Hydroxy-ethyl)-pyrrolidin-3-yl]-methyl-carbamoyl}-pyrrolidin-3-yl)-methyl-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 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：

  (R)-1-苄基-3-甲氨基吡咯烷 在 palladium on activated charcoal ammonium formate 、 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 ((S)-1-{[(R)-1-(2-Hydroxy-ethyl)-pyrrolidin-3-yl]-methyl-carbamoyl}-pyrrolidin-3-yl)-methyl-carbamic acid tert-butyl ester
  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