(3S)-3-[(2S)-(tert-Butoxycarbonyl)amino-5-carboxypentanoyl]oxy-10-phenyldecanamide | 187947-13-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3S)-3-[(2S)-(tert-Butoxycarbonyl)amino-5-carboxypentanoyl]oxy-10-phenyldecanamide
• 英文别名: (5S)-6-[(3S)-1-amino-1-oxo-10-phenyldecan-3-yl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
• CAS: 187947-13-3
• 化学式: C₂₇H₄₂N₂O₇
• 分子量: 506.64
• InChiKey: ATHOAHWWRVMORJ-VXKWHMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• ESTERS AND AMIDES AS PLA2 INHIBITORS
  申请人：——

  公开号：US20020019416A1

  公开（公告）日：2002-02-14

  1 The present invention relates to a novel fatty acid derivative of formula (I), wherein R 1 is acyl group; R 2 is acyl(lower)alkyl; R 3 is hydrogen, aryl(lower)alkyl, etc.; R 4 is acyl(lower)alkyl; and X is —O—, —NH— or formula (II) [wherein R 5 is lower alkyl, etc.]; and a pharmaceutically acceptable salt thereof, which is useful as a medicament; the processes for the preparation of said fatty acid derivative or a salt thereof; a pharmaceutical composition comprising said fatty acid derivative or a pharmaceutically acceptable salt thereof; etc.

  本发明涉及一种新颖的脂肪酸衍生物，其化学式为（I），其中R1是酰基；R2是酰基（较低）烷基；R3是氢，芳基（较低）烷基等；R4是酰基（较低）烷基；X为—O—，—NH—或化学式（II）[其中R5为较低烷基等]；及其药学上可接受的盐，可用作药物；制备所述脂肪酸衍生物或其盐的方法；包含所述脂肪酸衍生物或其药学上可接受的盐的药物组合物等。
• Esters and amides as PLA2 inhibitors
  申请人：——

  公开号：US20040063959A1

  公开（公告）日：2004-04-01

  The present invention relates to a novel fatty acid derivative of the following formula: 1 wherein R 1 is acyl group; R 2 is acyl(lower)alkyl; R 3 is hydrogen, aryl(lower)alkyl, etc; R 4 is acyl(lower)alkyl; and X is —O—, —NH— or 2 [wherein R 5 is lower alkyl, etc]; and a pharmaceutically acceptable salt thereof, which is useful as a medicament; the processes for the preparation of said fatty acid derivative or a salt thereof; a pharmaceutical composition comprising said fatty acid derivative or a pharmaceutically acceptable salt thereof; etc.

  本发明涉及以下式子的新型脂肪酸衍生物：1其中R1是酰基；R2是酰基（较低）烷基；R3是氢、芳基（较低）烷基等；R4是酰基（较低）烷基；X是—O—、—NH—或2[其中R5是较低烷基等]；以及其药学上可接受的盐，其作为药物具有用途；制备该脂肪酸衍生物或其盐的方法；包含该脂肪酸衍生物或其药学上可接受的盐的制药组合物等。