(S)-6-Amino-2-((2-methyl-1-(3-phenylpropanoylamino)propyl)(hydroxyphosphinoyl)oxy)hexanoic Acid

• 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: (S)-6-Amino-2-((2-methyl-1-(3-phenylpropanoylamino)propyl)(hydroxyphosphinoyl)oxy)hexanoic Acid
• 英文别名: (2S)-6-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxyhexanoic acid
• 化学式: C₁₉H₃₁N₂O₆P
• 分子量: 414.4
• InChiKey: KCAIWQMWEQOUCN-ATNAJCNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  28
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  benzyl (S)-6-(benzyloxycarbonylamino)-2-((2-methyl-1-(3-phenylpropanoylamino)propyl)(hydroxyphosphinoyl)oxy)hexanoate 在 氢氧化钯 氢气 、 甲醇 、 水 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 生成 (S)-6-Amino-2-((2-methyl-1-(3-phenylpropanoylamino)propyl)(hydroxyphosphinoyl)oxy)hexanoic Acid
  参考文献：
  名称：

  Phosphonic acid derivative having inhibitory activity against carboxypeptidase B

  摘要：

  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。

  公开号：

  US20030119787A1

文献信息

• Phosphonic acid derivatives having carboxypeptidase b inhibitory activity
  申请人：Meiji Seika Kaisha Ltd.

  公开号：US06576627B1

  公开（公告）日：2003-06-10

  A compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof: wherein R1 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like; R2 and R3 represent hydrogen atom, an alkyl group, a substituted alkyl group, an alkoxyl group and the like; X represents —CH2—, —O—, or —NH—; A represents the following group (II): [in which R7 and R8 represent hydrogen atom, an alkyl group, an acyl group, an alkoxycarbonyl group and the like; R9 and R10 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。】
• PHOSPHONIC ACID DERIVATIVES HAVING CARBOXYPEPTIDASE B INHIBITORY ACTIVITY
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1152004A1

  公开（公告）日：2001-11-07

  A compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof: wherein R1 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like; R2 and R3 represent hydrogen atom, an alkyl group, a substituted alkyl group, an alkoxyl group and the like; X represents -CH2-, -O-, or -NH-; A represents the following group (II): [in which R7 and R8 represent hydrogen atom, an alkyl group, an acyl group, an alkoxycarbonyl group and the like; R9 and R10 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.

  由以下通式（I）代表的化合物及其药理学上可接受的盐： 其中 R1 代表氢原子、烷基、取代的烷基等；R2 和 R3 代表氢原子、烷基、取代的烷基、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、烷氧基羰基等；R9 和 R10 代表氢原子、卤素原子、羟基、苯基、烷基等]等；E 代表氢原子等，对羧肽酶 B 具有抑制活性，可用于血栓性疾病的治疗和/或预防。
• Phosphonic acid derivatives having carboxypeptidase B inhibitory action
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1152004B1

  公开（公告）日：2003-05-07
• US6576627B1
  申请人：——

  公开号：US6576627B1

  公开（公告）日：2003-06-10
• US6737416B2
  申请人：——

  公开号：US6737416B2

  公开（公告）日：2004-05-18