4-amino-N,N-bis(3-methylbutyl)-3-[(3-piperidin-1-ylpropyl)amino]benzamide | 852803-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-amino-N,N-bis(3-methylbutyl)-3-[(3-piperidin-1-ylpropyl)amino]benzamide
• 英文别名: 4-amino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropylamino)benzamide
• CAS: 852803-36-2
• 化学式: C₂₅H₄₄N₄O
• 分子量: 416.651
• InChiKey: KOHIEWQZQQKBBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  61.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-amino-N,N-bis(3-methylbutyl)-3-[(3-piperidin-1-ylpropyl)amino]benzamide 、 硫代异氰酸苯酯 生成 N,N-diisopentyl-2-(phenylamino)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
  参考文献：
  名称：

  Identification of a novel series of benzimidazoles as potent and selective antagonists of the human melanocortin-4 receptor

  摘要：

  A novel series of benzimidazoles was identified and optimized, leading to the discovery of potent and selective antagonists of the human melanocortin-4 receptor. In addition, compound 5i was shown to cross the blood-brain barrier after intravenous dosing in rats. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.010
• 作为产物：
  描述：

  3-fluoro-N,N-bis-(3-methyl-butyl)-4-nitro-benzamide 在 palladium 10% on activated carbon 氢气 、 potassium carbonate 作用下， 以 乙醇 、 乙酸乙酯 、 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 5.5h， 生成 4-amino-N,N-bis(3-methylbutyl)-3-[(3-piperidin-1-ylpropyl)amino]benzamide
  参考文献：
  名称：

  Substituted benzimidazole derivatives as melanocortin 4 receptor antagonists

  摘要：

  本发明涉及取代苯并咪唑衍生物作为黑色素皮质素-4受体（MC-4R）调节剂。

  公开号：

  EP2439197A1

文献信息

• Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments
  申请人：Poitout Lydie

  公开号：US20050065179A1

  公开（公告）日：2005-03-24

  A compound of the formula wherein the substituents are as defined in the specification and pharmaceutical salts thereof having a good affinity for sub-types of melanocortin receptors making them useful for treating diseases in which such receptors are included such as pain, inflammatory conditions, etc.

  具有以下结构的化合物及其药用盐具有良好的亲和力，适用于治疗包括疼痛、炎症等在内的疾病，其中取代基如规范中所定义的亚型黑素皮质激素受体。
• Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament
  申请人：Poitout Lydie

  公开号：US20060281784A1

  公开（公告）日：2006-12-14

  The invention relates to novel benzimidazole and imidazopyridine derivatives having general formula (I), which have a good affinity with certain sub-types of melanocortin receptors, particularly MC4 receptors. Said derivatives are particularly suitable for the treatment of pathological states and diseases involving one or more melanocortin receptors. The invention also relates to pharmaceutical compositions containing said products.

  本发明涉及具有通式（I）的新型苯并咪唑和咪唑吡啶衍生物，其与某些亚型的黑色素皮质素受体，特别是MC4受体具有良好的亲和力。所述衍生物特别适用于治疗涉及一个或多个黑色素皮质素受体的病理状态和疾病。本发明还涉及含有该产品的制药组合物。
• Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors
  申请人：Poitout Lydie

  公开号：US20090209531A1

  公开（公告）日：2009-08-20

  The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

  本发明涉及新型嘧啶并苯并咪唑衍生物。该产品对某些黑色素细胞激素受体亚型，特别是MC4受体具有良好的亲和力。该产品对治疗与一个或多个黑色素细胞激素受体相关的病理性疾病具有特殊的兴趣。本发明还公开了含有该产品的药物组合物及其用于制药的用途。
• Pyrimido-benzimidazole derivatives and the use thereof in the form of agonists and antagonists of melanocortin receptors
  申请人：Ipsen Pharma S.A.S.

  公开号：US07763725B2

  公开（公告）日：2010-07-27

  The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

  本发明涉及新型嘧啶并苯并咪唑衍生物。所述产品对某些黑色素皮质素受体亚型，特别是MC4受体具有良好的亲和力。该产品对治疗与一个或多个黑色素皮质素受体相关的病理性疾病具有特殊的兴趣。本发明还公开了含有所述产品的制药组合物及其用于制药的用途。
• Pyrimido-benzimidzole derivatives and the use thereof in the form of agonists or antagonists of melanocortin receptors
  申请人：Ipsen Pharma S.A.S.

  公开号：US08288395B2

  公开（公告）日：2012-10-16

  The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

  本发明涉及新型嘧啶并苯并咪唑衍生物。该产品对某些黑色素皮质素受体亚型，特别是MC4受体表现出良好的亲和力。该产品对治疗与一个或多个黑色素皮质素受体相关的病理性疾病具有特殊的兴趣。本发明还揭示了含有该产品的药物组合物及其用于制备药物的应用。