tert-butyl N-[2-[4-[4-[2-(dimethylamino)ethylamino]phenyl]-5-oxo-1,2,4-triazol-1-yl]ethyl]-N-(2-phenoxyethyl)carbamate | 895136-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl N-[2-[4-[4-[2-(dimethylamino)ethylamino]phenyl]-5-oxo-1,2,4-triazol-1-yl]ethyl]-N-(2-phenoxyethyl)carbamate
• CAS: 895136-21-7
• 化学式: C₂₇H₃₈N₆O₄
• 分子量: 510.637
• InChiKey: LHQFOJVFVCDAQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  90
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 4-[4-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]-5-oxo-1,2,4-triazol-1-yl]benzoate 、 N,N-二甲基乙二胺 在 palladium diacetate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.42h， 以39%的产率得到tert-butyl N-[2-[4-[4-[2-(dimethylamino)ethylamino]phenyl]-5-oxo-1,2,4-triazol-1-yl]ethyl]-N-(2-phenoxyethyl)carbamate
  参考文献：
  名称：

  WO2006/67139

  摘要：

  公开号：

文献信息

• SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE
  申请人：Andrés-Gil José Ignacio

  公开号：US20100029620A1

  公开（公告）日：2010-02-04

  The present invention concerns substituted triazolone, tetrazolone and imidazolone derivatives according to the general 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, wherein the variables are defined in Claim 1 , having selective α 2C -adrenoceptor antagonist activity. It further relates to their preparation, compositions comprising them and their use as a medicine. The compounds according to the invention are useful for the prevention and/or treatment of central nervous system disorders, mood disorders, anxiety disorders, stress-related disorders associated with depression and/or anxiety, cognitive disorders, personality disorders, schizoaffective disorders, Parkinson's disease, dementia of the Alzheimer's type, chronic pain conditions, neurodegenerative diseases, addiction disorders, mood disorders and sexual dysfunction.