1-[3-(2-cyanophenyl)-4-cyclohexyl-4-hydroxybutyl]-4-(2,6-dimethylphenyl)-piperidine | 637036-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[3-(2-cyanophenyl)-4-cyclohexyl-4-hydroxybutyl]-4-(2,6-dimethylphenyl)-piperidine
• 英文别名: 2-[1-cyclohexyl-4-[4-(2,6-dimethylphenyl)piperidin-1-yl]-1-hydroxybutan-2-yl]benzonitrile
• CAS: 637036-68-1
• 化学式: C₃₀H₄₀N₂O
• 分子量: 444.66
• InChiKey: QOTQZLXYDQTVAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-{N-[3-(2-cyanophenyl)-4-cyclohexyl-4-hydroxybutyl]-N-methyl-2-aminoethoxy}-quinoline 、 1-[3-(2-cyanophenyl)-4-cyclohexyl-4-oxobutyl]-4-(2,6-dimethylphenyl)-piperidine 、 2-(2-cyclohexyl-2-oxoethyl)-benzonitrile 在 methanol-dichloromethane 作用下， 以yielded the title compound (20.9%) as an oil的产率得到1-[3-(2-cyanophenyl)-4-cyclohexyl-4-hydroxybutyl]-4-(2,6-dimethylphenyl)-piperidine
  参考文献：
  名称：

  Phenylalkylamines and pyridylalkylamines

  摘要：

  描述了具有亲和力的新型取代苯基烷基胺和吡啶基烷基胺衍生物对于5-HT1A受体。这些化合物及其对映体、非对映异构体、N-氧化物、多晶形态、溶剂化物和药学上可接受的盐在治疗下泌尿道神经肌肉功能障碍和与5-HT1A受体相关的疾病方面有用。还描述了这些化合物的制备和含有它们的制药组合物。

  公开号：

  US20040058962A1

文献信息

• [EN] PHENYLALKYLAMINES AND PYRIDYLALKYLAMINES<br/>[FR] PHENYLALKYLAMINES ET PYRIDYLALKYLAMINES
  申请人：RECORDATI CHEM PHARM

  公开号：WO2003106421A2

  公开（公告）日：2003-12-24

  Compounds of formula (I): (A is CH or N, R and R1 are a wide range of substituents, Q is CO, CHOH or CHOR2, R2 is alkyl, alkenyl, alkynyl or cycloalkyl group, each of which is optionally substituted, or is alkanoyl, alkanoyoxy, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, aminothiocarbonyl, alkylaminothiocarbonyl or dialkylaminothiocarbonyl, R3 is H, alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclic group, each of which is optionally substituted, m is 1 or 2, R4 is an aryl or heteroaryl group, either of which is optionally substituted, R5 is either (II) or (III), wherein m is 1 or 2, R6 is H or alkyl, R7 is O, S, NR6 or CH2, B is a bond, O, S, NR6 or CH2 and -------- represents a single or double bond) have affinity for serotoninergic receptors. These compounds and their enantiomers, diastereoisomers, N-piperazine oxides, polymorphs, solvates and pharmaceutically acceptable salts are useful in the treatment of patients with neuromuscular dysfunction of the lower urinary tract and diseases related to 5-HT1A receptor activity.
• Phenylalkylamines and pyridylalkylamines
  申请人：——

  公开号：US20040058962A1

  公开（公告）日：2004-03-25

  Described are novel substituted phenylalkylamines and pyridylalkylamines having affinity for serotonergic receptors. These compounds and their enantiomers, diastereoisomers, N-oxides, polymorphs, solvates and pharmaceutically acceptable salts are useful in the treatment of patients with neuromuscular dysfunction of the lower urinary tract and diseases related to 5-HT 1A receptor. Also described are the preparation of the compounds and the pharmaceutical compositions containing them.

  描述了具有与5-羟色胺受体亲和力的新型取代苯基烷胺和吡啶基烷胺。这些化合物及其对映体、二对映体、N-氧化物、多晶型、溶剂合物和药用可接受的盐在治疗患有下尿路神经肌肉功能障碍和与5-HT1A受体相关疾病的患者中有用。还描述了这些化合物的制备以及含有它们的药物组合物。