methyl 6-({(2S)-5-{[(benzyloxy)carbonyl]amino}-2-[(tert-butoxycarbonyl)amino]pentanoyl}amino)-2-naphthoate | 857645-75-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 6-({(2S)-5-{[(benzyloxy)carbonyl]amino}-2-[(tert-butoxycarbonyl)amino]pentanoyl}amino)-2-naphthoate
• 英文别名: methyl 6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]naphthalene-2-carboxylate
• CAS: 857645-75-1
• 化学式: C₃₀H₃₅N₃O₇
• 分子量: 549.624
• InChiKey: DZMQFDRKFWAVMM-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  40
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Ornithine derivatives as prostaglandin e2 agonists or antagonists
  申请人：Hattori Kouji

  公开号：US20070142638A1

  公开（公告）日：2007-06-21

  Ornithine derivatives of the formula (I): wherein X is —CO— or —(CH 2 ) k — (wherein k is 1, 2 or 3); Y is Z-(CH 2 ) n —, and the like; wherein Z is R 1 —CO—NR 4 —, and the like, (wherein R 1 is aryl, and the like; and R 4 is hydrogen, or lower alkyl); and n is 1, 2, 3, 4, 5 or 6}; R 2 is aryl-(lower alkyl), and the like; R 3 is -Q-R 7 , [wherein Q is —CO— or —SO 2 —, R is heterocyclyl], and the like; and R 5 and R 6 are independently hydrogen or lower alkyl; or a pharmaceutically acceptable salt thereof, which are useful as medicament.

  公式（I）的鸟氨酸衍生物：其中X为—CO—或—（CH2）k—（其中k为1、2或3）；Y为Z-（ ）n—等；其中Z为R1—CO—NR4—等（其中R1为芳基等；R4为氢或低碳基）；n为1、2、3、4、5或6}；R2为芳基-（低碳基）等；R3为-Q-R7，[其中Q为—CO—或—SO2—，R为杂环基]等；R5和R6独立地为氢或低碳基；或其药学上可接受的盐，其作为药物有用。