4-[4-(2-Hydroxyethyl)piperidin-1-yl]-4-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Trifluoroacetate | 374810-64-7

• 分子结构分类: 有机化合物
• 英文名称: 4-[4-(2-Hydroxyethyl)piperidin-1-yl]-4-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Trifluoroacetate
• 英文别名: 1-[4-(2-hydroxyethyl)piperidin-1-yl]-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione;2,2,2-trifluoroacetic acid
• CAS: 374810-64-7
• 化学式: C₂HF₃O₂*C₂₁H₃₀N₂O₃
• 分子量: 472.505
• InChiKey: JKVVUGCCEYSAJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Melanin-concentrating hormone antagonist
  申请人：——

  公开号：US20030158177A1

  公开（公告）日：2003-08-21

  A melanin-concentrating hormone antagonist comprising a compound of the formula: 1 wherein R is hydrogen atom or a cyclic group which may be substituted; X is a bond or a spacer having a main chain of 1 to 10 atoms; Y is a spacer having a main chain of 1 to 6 atoms; ring A is benzene ring which may be further substituted; ring B is a 5- to 9-membered nitrogen-containing non-aromatic heterocyclic ring which may be further substituted; R 1 and R 2 are the same or different and are hydrogen atom, a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; or R 1 and R 2 , together with the adjacent nitrogen atom, may form a nitrogen-containing heterocyclic ring which may be substituted; or R 2 , together with the adjacent nitrogen atom and Y, may form a nitrogen-containing heterocyclic ring which may be substituted; or a salt thereof is useful as a preventive or therapeutic agent for obesity, etc.

  一种黑素浓缩激素拮抗剂，包括以下结构的化合物：其中R是氢原子或可能被取代的环状基团；X是具有1到10个原子主链的键或间隔物；Y是具有1到6个原子主链的间隔物；环A是苯环，可能进一步被取代；环B是一个含氮的非芳香杂环环，成员数为5到9，可能进一步被取代；R1和R2相同或不同，是氢原子、可能被取代的烃基或可能被取代的杂环基；或者R1和R2，与相邻的氮原子一起，可以形成一个可能被取代的含氮杂环环；或者R2，与相邻的氮原子和Y一起，可以形成一个可能被取代的含氮杂环环；或其盐可用作肥胖等疾病的预防或治疗剂。
• MELANIN-CONCENTRATING HORMONE ANTAGONIST
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1283199A1

  公开（公告）日：2003-02-12

  A melanin-concentrating hormone antagonist comprising a compound of the formula: wherein R is hydrogen atom or a cyclic group which may be substituted; X is a bond or a spacer having a main chain of 1 to 10 atoms; Y is a spacer having a main chain of 1 to 6 atoms; ring A is benzene ring which may be further substituted; ring B is a 5- to 9-membered nitrogen-containing non-aromatic heterocyclic ring which may be further substituted; R1 and R2 are the same or different and are hydrogen atom, a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; or R1 and R2, together with the adjacent nitrogen atom, may form a nitrogen-containing heterocyclic ring which may be substituted; or R2, together with the adjacent nitrogen atom and Y, may form a nitrogen-containing heterocyclic ring which may be substituted; or a salt thereof is useful as a preventive or therapeutic agent for obesity, etc.

  一种黑色素浓缩激素拮抗剂，包括式中化合物： 其中 R 是氢原子或可被取代的环状基团；X 是主链为 1 至 10 个原子的键或间隔物；Y 是主链为 1 至 6 个原子的间隔物；环 A 是可被进一步取代的苯环；环 B 是可被进一步取代的 5 至 9 元含氮非芳香杂环；R1和R2相同或不同，且为氢原子、可被取代的烃基或可被取代的杂环基；或R1和R2连同相邻的氮原子可形成可被取代的含氮杂环；或R2连同相邻的氮原子和Y可形成可被取代的含氮杂环；或其盐可用作肥胖症等的预防或治疗剂。
• US7229986B2
  申请人：——

  公开号：US7229986B2

  公开（公告）日：2007-06-12