N-(tert-butyl)-4-cyclohexylpiperidine-4-carboxamide | 363191-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-(tert-butyl)-4-cyclohexylpiperidine-4-carboxamide
• 英文别名: 4-Cyclohexyl-N-(1,1-dimethylethyl)-4-piperidinecarboxamide；4-cyclohexyl-piperidine-4-carboxylic acid tert-butylamide；4-tert-butylcarbamoyl-4-cyclohexylpiperidine；4-Tert-butylcarbamoyl-4-cyclohexyl-piperidine；N-tert-butyl-4-cyclohexylpiperidine-4-carboxamide
• CAS: 363191-02-0
• 化学式: C₁₆H₃₀N₂O
• 分子量: 266.427
• InChiKey: XSZBSNPPVWXMKV-UHFFFAOYSA-N

物化性质

• 沸点：
  422.2±34.0 °C(Predicted)
• 密度：
  0.984±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(tert-butyl)-4-cyclohexylpiperidine-4-carboxamide 在 palladium on activated charcoal 氢气 、 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 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 (R)-2-[(R)-2-(4-tert-Butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethylcarbamoyl]-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Discovery of (2S)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-4-methyl-2-piperazinecarboxamide (MB243), a potent and selective melanocortin subtype-4 receptor agonist

  摘要：

  We report the discovery and optimization of substituted 2-piperazinecarboxamides as potent and selective agonists of the melanocortin subtype-4 receptor. Further in vivo development of lead agonist, MB243, is disclosed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.020
• 作为产物：
  描述：

  保护的4-苯基哌啶-4-羧酸 在 Rh/Al₂O₃ 草酰氯 、 氢气 、 N,N-二甲基甲酰胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 70.0 ℃ 、482.63 kPa 条件下， 生成 N-(tert-butyl)-4-cyclohexylpiperidine-4-carboxamide
  参考文献：
  名称：

  Discovery of (2S)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-4-methyl-2-piperazinecarboxamide (MB243), a potent and selective melanocortin subtype-4 receptor agonist

  摘要：

  We report the discovery and optimization of substituted 2-piperazinecarboxamides as potent and selective agonists of the melanocortin subtype-4 receptor. Further in vivo development of lead agonist, MB243, is disclosed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.020

文献信息

• [EN] PIPERAZINE UREA DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS<br/>[FR] DERIVES D'UREE DE PIPERAZINE UTILISES COMME AGONISTES DES RECEPTEURS DE MELANOCORTINE-4
  申请人：MERCK & CO INC

  公开号：WO2004024720A1

  公开（公告）日：2004-03-25

  Certain novel piperazine urea derivatives are agonists of the human melanocortin-4 receptor (MC-4R) and, in particular, are receptor-subtype selective agonists of MC-4R. They are useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity and diabetes.

  某些新型哌嗪脲衍生物是人类黑色素皮质素-4受体（MC-4R）的激动剂，特别是MC-4R的受体亚型选择性激动剂。它们对于治疗、控制或预防对MC-4R激活敏感的疾病和疾病是有用的，例如肥胖症和糖尿病。
• [EN] MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE LA MÉLANOCORTINE
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005047253A1

  公开（公告）日：2005-05-26

  The present invention relates a compound of formula 1, and pharmaceutically acceptable salt, hydrate, solvate, or isomer thereof effective as agonist of melanocortin receptor, and an agonistic composition of melanocortin receptor comprising the same as active ingredient.

  本发明涉及一种化合物1的公式，以及作为黑色素皮质素受体激动剂的药用盐、水合物、溶剂合物或同分异构体，以及包含该化合物作为活性成分的黑色素皮质素受体激动剂组合物。
• [EN] MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS<br/>[FR] COMPOSÉS ANTAGONISTES DU RÉCEPTEUR DE LA MÉLANOCORTINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN MÉDECINE HUMAINE ET EN COSMÉTIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2010052256A1

  公开（公告）日：2010-05-14

  The present invention relates to novel melanocortin receptor antagonist compounds corresponding to the general formula (I) below, to compositions containing them, to the process for preparing them and to their use in pharmaceutical or cosmetic compositions.

  本发明涉及与下面的一般公式（I）对应的新型黑素皮质素受体拮抗剂化合物，以及含有它们的组合物，制备它们的方法以及它们在药用或化妆品组合物中的应用。
• [EN] SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS<br/>[FR] DERIVES DE PIPERIDINE ET DE PIPERAZINE SUBSTITUES UTILISES EN TANT QUE MODULATEURS DU RECEPTEUR DE LA MELANOCORTINE-4
  申请人：MYOCONTRACT LTD

  公开号：WO2004083208A1

  公开（公告）日：2004-09-30

  The present invention relates to novel substituted piperidine and piperazine derivatives as melanocortin-4 receptor (MC-4R) modulators. MC-4R agonists of the invention can be used for the treatment of disorders and diseases such as obesity, diabetes and sexual dysfunction, whereas the MC-4R antagonists are useful for the treatment of disorders and diseases such as cancer cachexia, muscle wasting, anorexia, anxiety and depression. All diseases and disorders, where the regulation of the MC-4R is involved, can be treated with the compounds of the invention.

  本发明涉及一种新型的替代哌啶和哌嗪衍生物，作为黑色素皮质素-4受体（MC-4R）调节剂。本发明的MC-4R激动剂可用于治疗肥胖、糖尿病和性功能障碍等疾病，而MC-4R拮抗剂可用于治疗癌症恶病质、肌肉消耗、厌食症、焦虑和抑郁等疾病。所有涉及MC-4R调节的疾病和障碍均可使用本发明的化合物治疗。
• Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators
  申请人：MyoContract Ltd.

  公开号：EP1460073A1

  公开（公告）日：2004-09-22

  The present invention relates to novel substituted piperidine and piperazine derivatives as melanocortin-4 receptor (MC-4R) modulators. MC-4R agonists of the invention can be used for the treatment of disorders and diseases such as obesity, diabetes, and sexual dysfunction, whereas the MC-4R antagonists are useful for the treatment of disorders and diseases such as cancer cachexia, muscle wasting, anorexia, anxiety and depression. All diseases and disorders where the regulation of the MC-4R is involved can be treated with the compounds of the invention.

  本发明涉及作为黑色素皮质素-4受体（MC-4R）调节剂的新型取代哌啶和哌嗪衍生物。本发明的MC-4R激动剂可用于治疗肥胖、糖尿病和性功能障碍等疾病，而MC-4R拮抗剂可用于治疗癌症恶病质、肌肉消耗、厌食症、焦虑和抑郁等疾病。所有涉及MC-4R调节的疾病和障碍均可通过本发明的化合物进行治疗。