(R)-N-[((S)-1-Carbamimidoyl-2-ethoxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-4-yl)-2-phenylmethanesulfonylamino-propionamide | 274928-53-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-N-[((S)-1-Carbamimidoyl-2-ethoxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-4-yl)-2-phenylmethanesulfonylamino-propionamide
• CAS: 274928-53-9
• 化学式: C₂₆H₄₃N₉O₅S
• 分子量: 593.751
• InChiKey: OAWJTRXLCZMTHN-LDJQHZOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  41.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  219.82
• 氢给体数：
  7.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (R)-N-[((S)-1-Carbamimidoyl-2-ethoxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-4-yl)-2-phenylmethanesulfonylamino-propionamide 在 盐酸 作用下， 生成 (R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-4-yl)-2-phenylmethanesulfonylamino-propionamide; TFA
  参考文献：
  名称：

  Guanylpiperidine peptidomimetics: potent and selective bis-cation inhibitors of factor Xa

  摘要：

  A novel series of rigid P-3-guanylpiperidine peptide mimics 3-14 was designed as potential factor Xa and prothrombinase inhibitors. Incorporation into a P-2-gly-P-1-argininal motified to highly potent and selective inhibitors. The synthesis and biological activities of these derivatives are reported herein. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00105-0
• 作为产物：
  描述：

  [(R)-3-(1-{Benzyloxycarbonylamino-[(Z)-benzyloxycarbonylimino]-methyl}-piperidin-4-yl)-2-phenylmethanesulfonylamino-propionylamino]-acetic acid methyl ester 在 palladium on activated charcoal N-甲基吗啉 、 lithium hydroxide 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 水 、 溶剂黄146 、 乙腈 为溶剂， 生成 (R)-N-[((S)-1-Carbamimidoyl-2-ethoxy-piperidin-3-ylcarbamoyl)-methyl]-3-(1-carbamimidoyl-piperidin-4-yl)-2-phenylmethanesulfonylamino-propionamide
  参考文献：
  名称：

  Guanylpiperidine peptidomimetics: potent and selective bis-cation inhibitors of factor Xa

  摘要：

  A novel series of rigid P-3-guanylpiperidine peptide mimics 3-14 was designed as potential factor Xa and prothrombinase inhibitors. Incorporation into a P-2-gly-P-1-argininal motified to highly potent and selective inhibitors. The synthesis and biological activities of these derivatives are reported herein. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00105-0