N-(5-Methoxy-3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-1-[1-(pyrimidin-2-yl)piperid-4-yl]methylamine | 170352-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(5-Methoxy-3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-1-[1-(pyrimidin-2-yl)piperid-4-yl]methylamine
• 英文别名: N-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
• CAS: 170352-76-8
• 化学式: C₂₁H₂₈N₄O₂
• 分子量: 368.479
• InChiKey: XXCOWOWMPRELNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  59.5
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses
  申请人：Knoll AG

  公开号：EP0717739B1

  公开（公告）日：2000-03-29
• BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION
  申请人：Knoll GmbH

  公开号：EP1198234A2

  公开（公告）日：2002-04-24
• US5767116A
  申请人：——

  公开号：US5767116A

  公开（公告）日：1998-06-16
• [EN] THERAPEUTIC AGENTS<br/>[FR] AGENTS THERAPEUTIQUES
  申请人：KNOLL AG

  公开号：WO2001002391A2

  公开（公告）日：2001-01-11

  Compounds of formula (I) and pharmaceutically acceptable salts thereof in which A is methylene or -O-; B is methylene or -O-; and g is 0, 1, 2, 3 or 4; R1 represents, halo, optionally substituted alkyl, optionally substituted alkoxy, optionally substituted alkylthio, hydroxy, acyloxy, hydroxymethyl, cyano, alkanoyl, alkoxycarbonyl, optionally N-substituted carbamoyl, carbamoylmethyl, sulphamoyl or sulphamoylmethyl, an amino group optionally substituted by one or two alkyl groups, or two adjacent R1 groups together with the carbon atoms to which they are attached form a fused benz ring; R2 is H, alkyl or alkoxy; R3 and R4, which are the same or different, are H, or alkyl; U is an alkylene chain optionally substituted by one or more alkyl; Q represents a divalent group of formula (IIa, IIb or IIc) in which V is a bond or an alkylene chain optionally substituted by one or more alkyl; V' is an alkylene chain optionally substituted by one or more alkyl; X is a bond or an alkylene chain and X' is an alkylene chain, provided that the total number of carbon atoms in X and X' amounts to 3 or 4; R5 is H, or alkyl; and T represents an optionally substituted aromatic group which optionally contains one or more N atoms, provided that T is not 2-pyrimidinyl when A is -O-; have utility in reducing cravings to food or an addictive substance.