(S)-3-Methylamino-pyrrolidine-1-carboxylic acid [(S)-1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide | 762286-17-9

• 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)-3-Methylamino-pyrrolidine-1-carboxylic acid [(S)-1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide
• CAS: 762286-17-9
• 化学式: C₁₉H₃₆N₄O
• 分子量: 336.521
• InChiKey: VNEINMLBYIVYDZ-RDJZCZTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  38.82
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (S)-3-Methylamino-pyrrolidine-1-carboxylic acid [(S)-1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide 、 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：

  (4-nitrophenyl) N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methylcarbamate 在 palladium on activated charcoal ammonium formate 、 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-3-Methylamino-pyrrolidine-1-carboxylic acid [(S)-1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide
  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