5-(tert-butoxycarbonyl)amino-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole | 888728-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-(tert-butoxycarbonyl)amino-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
• 英文别名: tert-butyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]carbamate
• CAS: 888728-30-1
• 化学式: C₁₈H₂₃N₃O₂
• 分子量: 313.4
• InChiKey: WNEQVQDOHYJHIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  66.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3a,4-dihydro-7,8-dimethoxy-3H-[1]benzopyrano[4,3-c]isoxazole-3-methanol methanesulfonate ester 、 5-(tert-butoxycarbonyl)amino-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole 在 potassium iodide potassium carbonate 作用下， 以 (methyl)isobutyl ketone 为溶剂， 以69%的产率得到tert-butyl N-[3-[1-[(7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate
  参考文献：
  名称：

  WO2006/56600

  摘要：

  公开号：

文献信息

• ISOXAZOLINE-INDOLE DERIVATIVES WITH AN IMPROVED ANTIPSYCHOTIC AND ANXIOLYTIC A IVITY
  申请人：Janssen Pharmaceutica NV

  公开号：EP1819713B1

  公开（公告）日：2009-09-23
• Isoxazoline-Indole Derivatives With an Improved Antipsychotic and Anxiolytic Activity
  申请人：Andres-Gil Jose Ignacio

  公开号：US20080113988A1

  公开（公告）日：2008-05-15

  The present invention relates to novel isoxazoline-indole derivatives according to Formula (I), a pharmaceutically acceptable acid or base addition salt thereof, a stereochemically isomeric form thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, with a binding affinity towards dopamine receptors, in particular towards dopamine D 2 and/or D 3 receptors, with selective serotonin reuptake inhibition (SSRI) properties and showing an affinity for the 5-HT 1A receptor, pharmaceutical compositions comprising the compounds according to the invention, the use thereof for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic disorders, most in particular schizophrenia and processes for their production, wherein the variables are further defined in the application.
• US7635696B2
  申请人：——

  公开号：US7635696B2

  公开（公告）日：2009-12-22