4-(1-Cyclohexyl-2-isobutylamino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester | 444894-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(1-Cyclohexyl-2-isobutylamino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-[1-cyclohexyl-2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate
• CAS: 444894-57-9
• 化学式: C₂₁H₄₁N₃O₂
• 分子量: 367.575
• InChiKey: MKMAGWDYHMKFKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(1-Cyclohexyl-2-isobutylamino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands

  摘要：

  Design, syntheses and structure-activity relationships of N-acetylated piperazine privileged structures containing MC4R agonist compounds were described. The most potent derivatives were low nM MC4R selective full agonists. Several compounds from the series had modest pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.038
• 作为产物：
  描述：

  4-(2-Amino-1-cyclohexyl-ethyl)-piperazine-1-carboxylic acid tert-butyl ester 、 异丁醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-(1-Cyclohexyl-2-isobutylamino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands

  摘要：

  Design, syntheses and structure-activity relationships of N-acetylated piperazine privileged structures containing MC4R agonist compounds were described. The most potent derivatives were low nM MC4R selective full agonists. Several compounds from the series had modest pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.038

文献信息

• Melanocortin receptor agonists
  申请人：——

  公开号：US20040116699A1

  公开（公告）日：2004-06-17

  The present invention relates to melanocortin receptor agonist of the formula I useful in the treatment of obesity, diabetes, and male and/or female sexual dysfunction 1

  本发明涉及公式I的黑色素细胞激素受体激动剂，用于治疗肥胖症、糖尿病以及男性和/或女性性功能障碍。
• MELANOCORTIN RECEPTOR AGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1358163A1

  公开（公告）日：2003-11-05
• US7169777B2
  申请人：——

  公开号：US7169777B2

  公开（公告）日：2007-01-30
• [EN] MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DE RECEPTEURS DE MELANOCORTINE
  申请人：LILLY CO ELI

  公开号：WO2002059095A1

  公开（公告）日：2002-08-01

  The present invention relates to melanocortin receptor agonist of the formula I useful in the treatment of obesity, diabetes, and male and/or female sexual dysfunction.