1-{3-[4-((E)-2-Iodo-propenyl)-phenyl]-8-aza-bicyclo[3.2.1]oct-2-yl}-propan-1-one

• 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-[4-((E)-2-Iodo-propenyl)-phenyl]-8-aza-bicyclo[3.2.1]oct-2-yl}-propan-1-one
• 英文别名: 1-[3-[4-[(E)-2-iodoprop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
• 化学式: C₁₉H₂₄INO
• 分子量: 409.3
• InChiKey: FMZWUJWDVRSFBN-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• US6013242A
  申请人：——

  公开号：US6013242A

  公开（公告）日：2000-01-11
• [EN] TROPANE DERIVATIVES AS SEROTONIN TRANSPORTER ANTAGONISTS<br/>[FR] DERIVES DE TROPANE UTILISES COMME ANTAGONISTES DU TRANSPORTEUR DE LA SEROTONINE
  申请人：UNIV WAKE FOREST

  公开号：WO2000044747A1

  公开（公告）日：2000-08-03

  Biologically active derivatives of the tropane ring system are provided having formula (1) wherein R1 is selected from the group consisting of hydrogen and C1 to C8 alykl; R2 is selected from the group consisting of hydrogen, iodo, radioisotopic halo, C1 to C8 alkyl and tri lower alkyl (C1 to C8) tin; and R1 and R2 may be fused by a -N(Me)CH=CH- to form a pyrrole ring; R3 is selected from the group consisting of hydrogen, iodo, or C1 to C8 alkyl; R4 is selected from the group consisting of hydrogen and C1 to C8 alkyl; and, R5 is selected from the group consisting of hydrogen or C1 to C8 alkyl, and salts, solvates and hydrates thereof, which selectively bind either to the 5-HT or DA reuptake site, leading to compounds which have use for the treatment of clinical depression, attention deficit disorder, obesity and cocaine addiction.