N,N-bis(3-methylbutyl)-16-oxo-13-phenyl-8-(3-piperidin-1-ylpropyl)-14-thia-1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,9,11(15),12-hexaene-5-carboxamide | 872346-35-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: N,N-bis(3-methylbutyl)-16-oxo-13-phenyl-8-(3-piperidin-1-ylpropyl)-14-thia-1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,9,11(15),12-hexaene-5-carboxamide
• CAS: 872346-35-5
• 化学式: C₃₇H₄₇N₅O₂S
• 分子量: 625.878
• InChiKey: XYRQEWDUKKQMHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• 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-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS
  申请人：POITOUT Lydie

  公开号：US20100256135A1

  公开（公告）日：2010-10-07

  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.

  该发明涉及一种新型嘧啶并苯并咪唑衍生物。该产品对某些黑素皮质素受体亚型，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素皮质素受体相关的病理性疾病具有特别的兴趣。还公开了含有该产品的药物组合物及其用于制备药物的用途。
• US7763725B2
  申请人：——

  公开号：US7763725B2

  公开（公告）日：2010-07-27
• US8288395B2
  申请人：——

  公开号：US8288395B2

  公开（公告）日：2012-10-16