Brasofensine (sulfate)

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: Brasofensine (sulfate)
• 英文别名: (E)-1-[(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxymethanimine;sulfuric acid
• 化学式: C16H22Cl2N2O5S
• 分子量: 425.3
• InChiKey: MOYPZNPGNIZILM-NPJZCEOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Polypharmacophoric agents
  申请人：——

  公开号：US20020042357A1

  公开（公告）日：2002-04-11

  One aspect of the present invention relates to polypharmacophoric compounds. In certain embodiments, the polyphamacophore compounds comprise individual pharmacophore units selected from the group consisting of D-1 agonists, D-2 agonists, D-3 agonists, D-4 agonists, irreversible monoamine inhibitors, reversible monoamine inhibitors, monoamine transporter inhibitors, COMT inhibitors, MAO inhibitors, and dopamine transporter inhibitors. Moreover, the present invention also relates to combinatorial libraries of polypharmacophoric compounds. Another aspect of the present invention relates to the use of a polypharmacophoric compound in a method of treating a mammal in need thereof. For example, a polypharmacophoric compound of the present invention may be used in a method of treating a mammal afflicted with Alzheimer's Disease, Huntington's Disease, depression, attention deficit disorder, autism, obesity, or inflammation.

  本发明的一个方面涉及多药效化合物。在某些实施方案中，多药效化合物包括选自由 D-1 激动剂、D-2 激动剂、D-3 激动剂、D-4 激动剂、不可逆单胺抑制剂、可逆单胺抑制剂、单胺转运体抑制剂、COMT 抑制剂、MAO 抑制剂和多巴胺转运体抑制剂组成的组的单个药效单元。此外，本发明还涉及多药效化合物的组合文库。本发明的另一方面涉及多药效化合物在治疗有需要的哺乳动物的方法中的用途。例如，本发明的多药效化合物可用于治疗患有阿尔茨海默病、亨廷顿氏病、抑郁症、注意力缺陷障碍、自闭症、肥胖症或炎症的哺乳动物的方法中。
• POLYPHARMACOPHORIC AGENTS
  申请人：Molecular Insight Pharmaceuticals, Inc.

  公开号：EP1257541B1

  公开（公告）日：2008-09-03
• US7141573B2
  申请人：——

  公开号：US7141573B2

  公开（公告）日：2006-11-28
• [EN] POLYPHARMACOPHORIC AGENTS<br/>[FR] AGENTS POLYPHARMACOPHORES
  申请人：BIOSTREAM THERAPEUTICS INC

  公开号：WO2001051474A2

  公开（公告）日：2001-07-19

  One aspect of the present invention relates to polypharmacophoric compounds. In certain embodiments, the polypharmacophore compounds comprise individual pharmacophore units selected from the group consisting of D-1 agonists, D-2 agonists, D-3 agonists, D-4 agonists, irreversible monoamine inhibitors, reversible monoamine inhibitors, monoamine transporter inhibitors, COMT inhibitors, MAO inhibitors, and dopamine transporter inhibitors. Moreover, the present invention also relates to combinatorial libraries of polypharmacophoric compounds. Another aspect of the present invention relates to the use of a polypharmacophoric compound in a method of treating a mammal in need thereof. For example, a polypharmacophoric compound of the present invention may be used in a method of treating a mammal afflicted with Alzheimer's Disease, Huntington's Disease, depression, attention deficit disorder, autism, obesity, or inflammation.