(E)-(3,4-difluorophenyl)(5-{[4-(1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-piperidin-1-yl]methyl}pyridin-2-yl)methanone O-ethyloxime | 1137948-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: (E)-(3,4-difluorophenyl)(5-{[4-(1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-piperidin-1-yl]methyl}pyridin-2-yl)methanone O-ethyloxime
• 英文别名: (E)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]methyl]pyridin-2-yl]methanimine
• CAS: 1137948-41-4
• 化学式: C₂₈H₂₉F₂N₅O
• 分子量: 489.568
• InChiKey: BURTVWDCEKVRQK-PJJLUWSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  55.5
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR
  申请人：Ando Makoto

  公开号：US20100324049A1

  公开（公告）日：2010-12-23

  [Problems] To provide an antagonist of a melanin-concentrating hormone receptor, which is useful as a medicine for a central nervous system disease, a cardiovascular disease or a metabolic disease. [Means for Solving Problems] The antagonist comprises, as an active ingredient, a compound represented by the formula (I) wherein R 1a and R 1b independently represent a hydrogen atom or a C 1-6 alkyl group; R 2a , R 2b , R 3a and R 3b independently represent a hydrogen atom, a C 1-6 alkyl group, or the like; Y represents H or —OH; Z represents —OR 8 , or the like; R 8 represents a hydrogen atom, a C 1-6 alkyl group which may have a substituent, or the like; R 9a and R 9b independently represent a hydrogen atom, a C 1-6 alkyl group, or the like; Ar 1 represents an aromatic carbon ring group, or an aromatic heteroring group; Ar 2 represents a group produced by removing two hydrogen atoms from an aromatic carbon ring, or the like; and the ring group A represents an unsaturated heteroring group.

  [问题] 提供一种黑素浓集激素受体的拮抗剂，该拮抗剂作为治疗中枢神经系统疾病、心血管疾病或代谢疾病的药物是有用的。 [解决问题的手段] 该拮抗剂包含作为活性成分的以下公式（I）所示的化合物： 其中 R1a 和 R1b 分别独立代表一个氢原子或一个C1-6烷基团；R2a、R2b、R3a 和 R3b 分别独立代表一个氢原子、一个C1-6烷基团或类似物；Y代表H或—OH；Z代表—OR8，或类似物；R8代表一个氢原子、一个可能含有取代基的C1-6烷基团或类似物；R9a和R9b分别独立代表一个氢原子、一个C1-6烷基团或类似物；Ar1代表一个芳香碳环族或芳香杂环族；Ar2代表通过从一个芳香碳环中移除两个氢原子而得到的族或类似物；而环族A代表一个不饱和杂环族。