N,N-Di-Boc-6-isopropyl-(S)-piperazine-2-carboxylic acid | 363191-98-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N-Di-Boc-6-isopropyl-(S)-piperazine-2-carboxylic acid
• 英文别名: (2S)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]-6-propan-2-ylpiperazine-2-carboxylic acid
• CAS: 363191-98-4
• 化学式: C₁₈H₃₂N₂O₆
• 分子量: 372.462
• InChiKey: FKIWEWLWMASIIG-ABLWVSNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N-Di-Boc-6-isopropyl-(S)-piperazine-2-carboxylic acid 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-6-Isopropyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide; compound with trifluoro-acetic acid
  参考文献：
  名称：

  2-Piperazinecarboxamides as potent and selective melanocortin subtype-4 receptor agonists

  摘要：

  We report the discovery and optimization of substituted 2-piperazinecarboxamides as potent and selective agonists of the melanocortin subtype-4 receptor. The 5- and 6-alkylated piperazine compounds exhibit low bioactivation potential as measured by covalent binding in microsome preparations. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.068
• 作为产物：
  描述：

  methyl (2S)-3-[(3-methyl-2-oxobutyl)amino]-2-(phenylmethoxycarbonylamino)propanoate 在 palladium on activated charcoal sodium hydroxide 、 TEA 、 氢气 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 N,N-Di-Boc-6-isopropyl-(S)-piperazine-2-carboxylic acid
  参考文献：
  名称：

  2-Piperazinecarboxamides as potent and selective melanocortin subtype-4 receptor agonists

  摘要：

  We report the discovery and optimization of substituted 2-piperazinecarboxamides as potent and selective agonists of the melanocortin subtype-4 receptor. The 5- and 6-alkylated piperazine compounds exhibit low bioactivation potential as measured by covalent binding in microsome preparations. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.068

文献信息

• Substituted piperidines as melanocortin receptor agonists
  申请人：——

  公开号：US20020019523A1

  公开（公告）日：2002-02-14

  Certain novel substituted piperidine compounds are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity, diabetes, sexual dysfunction, including erectile dysfunction and female sexual dysfunction.

  某些新型取代吡啶化合物是人类黑色素皮质素受体的激动剂，特别是是人类黑色素皮质素-4受体（MC-4R）的选择性激动剂。因此，它们可用于治疗、控制或预防对MC-4R激活有反应的疾病和障碍，例如肥胖症、糖尿病、性功能障碍，包括勃起功能障碍和女性性功能障碍。
• [EN] SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] PIPERIDINES SUBSTITUEES EN TANT QU'AGONISTES DU RECEPTEUR DE LA MELANOCORTINE
  申请人：MERCK & CO INC

  公开号：WO2001070708A1

  公开（公告）日：2001-09-27

  Certain novel substituted piperidine compounds are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity, diabetes, sexual dysfunction, including erectile dysfunction and female sexual dysfunction.

  某些新型取代哌啶化合物是人类黑色素皮质素受体的激动剂，特别是是人类黑色素皮质素-4受体（MC-4R）的选择性激动剂。因此，它们可用于治疗、控制或预防对MC-4R激活有响应的疾病和障碍，如肥胖症、糖尿病、性功能障碍（包括勃起功能障碍和女性性功能障碍）。
• SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1268449A1

  公开（公告）日：2003-01-02
• EP1268449A4
  申请人：——

  公开号：EP1268449A4

  公开（公告）日：2004-09-15
• US6458790B2
  申请人：——

  公开号：US6458790B2

  公开（公告）日：2002-10-01