2-[hydroxy-[(1R)-2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-4-piperidin-4-ylbutanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[hydroxy-[(1R)-2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-4-piperidin-4-ylbutanoic acid
• 化学式: C₂₂H₃₅N₂O₆P
• 分子量: 454.5
• InChiKey: BFVREFFMPGKVOG-VGAJERRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• Phosphonic acid derivative having inhibitory activity against carboxypeptidase B
  申请人：Meiji Seika Kaisha Ltd.

  公开号：US20030119787A1

  公开（公告）日：2003-06-26

  A compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof: 1 wherein R 1 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like; R 2 and R 3 represent hydrogen atom, an alkyl group, a substituted alkyl group, an alkoxyl group and the like; X represents —CH 2 —, —O—, or —NH—; A represents the following group (II): 2 [in which R 7 and R 8 represent hydrogen atom, an alkyl group, an acyl group, an alkoxycarbonyl group and the like; R 9 and R 10 represents hydrogen atom, a halogen atom, hydroxyl group, phenyl group, an alkyl group and the like] and the like; and E represents hydrogen atom and the like, which has inhibitory activity against carboxypeptidase B and is useful for therapeutic and/or preventive treatment of a thrombotic disease.

  以下是通用式（I）及其药学上可接受的盐所代表的化合物：其中R1代表氢原子、烷基、取代烷基等；R2和R3代表氢原子、烷基、取代烷基、烷氧基等；X代表—CH2—、—O—或—NH—；A代表以下基团（II）：其中R7和R8代表氢原子、烷基、酰基、烷氧羰基等；R9和R10代表氢原子、卤素原子、羟基、苯基、烷基等；E代表氢原子等，具有对羧肽酶B的抑制活性，可用于治疗和/或预防血栓性疾病。
• US6737416B2
  申请人：——

  公开号：US6737416B2

  公开（公告）日：2004-05-18