(3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)phenyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole | 1048964-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)phenyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole
• CAS: 1048964-47-1
• 化学式: C₂₀H₂₈N₂
• 分子量: 296.456
• InChiKey: IFOIERQJXDNQLV-MOXGXCLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  15.27
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  烟酰氯 、 (3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)phenyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 [(3aR,6aR)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridin-3-ylmethanone
  参考文献：
  名称：

  Novel H3 receptor antagonists with improved pharmacokinetic profiles

  摘要：

  A new series of H-3 antagonists derived from the natural product Conessine are presented. Several compounds from these new series retain the potency and selectivity of earlier diamine based analogs while exhibiting improved PK characteristics. One compound (3u) demonstrated functional antagonism of the H-3 receptor in an in vivo pharmacological model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.086
• 作为产物：
  描述：

  在 盐酸 作用下， 以 异丙醇 为溶剂， 以98%的产率得到(3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)phenyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole
  参考文献：
  名称：

  Novel H3 receptor antagonists with improved pharmacokinetic profiles

  摘要：

  A new series of H-3 antagonists derived from the natural product Conessine are presented. Several compounds from these new series retain the potency and selectivity of earlier diamine based analogs while exhibiting improved PK characteristics. One compound (3u) demonstrated functional antagonism of the H-3 receptor in an in vivo pharmacological model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.086