(5 S,6S)-6-{3,5-Bis(trifluoromethyl)benzyloxymethyl}-5-(4-ethylphenyl)-1-methyl-4-(5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylmethyl)piperazin-2-one | 586397-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5 S,6S)-6-{3,5-Bis(trifluoromethyl)benzyloxymethyl}-5-(4-ethylphenyl)-1-methyl-4-(5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylmethyl)piperazin-2-one
• 英文别名: (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-ethylphenyl)-1-methyl-4-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperazin-2-one
• CAS: 586397-21-9
• 化学式: C₂₆H₂₇F₆N₅O₃
• 分子量: 571.522
• InChiKey: GMAHOUMKMQEYTG-OFNKIYASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  86.3
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• Novel 2-phenylpiperazine derivatives
  申请人：——

  公开号：US20030166616A1

  公开（公告）日：2003-09-04

  Excellent tachykinin receptor antagonistic activity is provided by 2-phenylpiperazine derivatives. The piperazine derivatives exhibit a strong inhibitory action against a tachykinin-induced increase of vascular permeability in in vivo tests. Moreover, the derivatives show a preferred transfer into blood, a long half-life in blood in pharmacokinetic tests of oral administration to rats or guinea pigs, and are very stable in blood plasma of various animals. Consequently, a piperazine derivative of the present invention is very useful as a tachykinin antagonist.

  2-苯基哌嗪衍生物具有优异的缓激肽受体拮抗活性。这些哌嗪衍生物在体内测试中表现出强烈的抑制作用，可以抵抗缓激肽诱导的血管通透性增加。此外，这些衍生物在药代动力学测试中表现出有利的血液转移性和长半衰期，经口给大鼠或豚鼠，它们在血液中非常稳定。因此，本发明的哌嗪衍生物非常有用，可以作为缓激肽拮抗剂。
• US6906074B2
  申请人：——

  公开号：US6906074B2

  公开（公告）日：2005-06-14