(R)-N-(1-Aza-bicyclo[2.2.2]oct-3-yl)[E-3-(4-methylphenylthio)propenamide] | 335156-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: (R)-N-(1-Aza-bicyclo[2.2.2]oct-3-yl)[E-3-(4-methylphenylthio)propenamide]
• 英文别名: (E)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(4-methylphenyl)sulfanylprop-2-enamide
• CAS: 335156-33-7
• 化学式: C₁₇H₂₂N₂OS
• 分子量: 302.44
• InChiKey: HFGGWDUKVDQHAF-KXKDPZRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• QUINUCLIDINE ACRYLAMIDES
  申请人：AstraZeneca AB

  公开号：EP1235826A1

  公开（公告）日：2002-09-04
• US6642246B1
  申请人：——

  公开号：US6642246B1

  公开（公告）日：2003-11-04
• [EN] QUINUCLIDINE ACRYLAMIDES<br/>[FR] ACRYLAMIDES DE QUINUCLIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2001029034A1

  公开（公告）日：2001-04-26

  A compound of formula (I) wherein A represents (II), (III), (IV), (V) or (VI); R represents hydrogen or methyl; R?1 and R2¿ are independently hydrogen, or C¿1?-C4 alkyl; R?3 and R4¿ are independently hydrogen, C¿1?-C4 alkyl or SAr, provided that at least one of R?3 and R4¿ represents SAr; Ar represents a 5- or 6-membered aromatic or heteroaromatic ring containing zero to three nitrogen atoms, zero or one oxygen atom, and zero or one sulfur atom or an 8-, 9- or 10-membered fused aromatic or heteroaromatic ring system containing zero to four nitrogen atoms, zero to one oxygen atom, and zero to one sulfur atom which may optionally be substituted with one or more substituents selected from: hydrogen, halogen, C¿1?-C4 alkyl, C2-C4 alkenyl, C2-C4 alkynyl, aryl, heteroaryl, -CO2R?5¿, -CN, -NO¿2?, -NR?6R7, -CF¿3, -OR?8; R5, R6, R7, and R8¿ are independently hydrogen, C¿1?-C4 alkyl, aryl, heteroaryl, -C(O)R?9¿, -C(O)NHR10, -C(O)R11, -SO2R?12, or, R6 and R7¿ may together be (CH¿2?)jQ(CH2)k where Q is O, S, NR?13¿, or, a bond; j is 2 to 7; k is 0 to 2; R?9, R10, R11, R12, and R13¿, are independently C¿1?-C4 alkyl, aryl, or heteroaryl; or an enantiomer thereof, and the pharmaceutically acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy, especially in the treatment or prophylaxis of psychotic disorders and intellectual impairment disorders.