(S)-6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-hexanoic acid methyl ester | 65581-29-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-hexanoic acid methyl ester
• CAS: 65581-29-5
• 化学式: C₂₀H₃₀N₂O₆
• 分子量: 394.468
• InChiKey: GFIYVIKTWFGORT-INIZCTEOSA-N

物化性质

• 沸点：
  544.7±50.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  102.96
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-hexanoic acid methyl ester 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 1,4-二氧六环 、 三乙胺 为溶剂， 生成
  参考文献：
  名称：

  Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists

  摘要：

  The ornithine sulfonamide 1 was identified by random screening as weak fibrinogen receptor antagonist. Homologation of the carboxylic acid function and further structure activity studies led to the development of novel beta-amino acid derivatives, which are potent and orally active antagonists of the platelet fibrinogen receptor GPIIb/IIIa. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00095-4
• 作为产物：
  描述：

  N-Boc-N'-Cbz-L-赖氨酸 在 Ag₂₀ 作用下， 以 三乙胺 为溶剂， 生成 (S)-6-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-hexanoic acid methyl ester
  参考文献：
  名称：

  Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists

  摘要：

  The ornithine sulfonamide 1 was identified by random screening as weak fibrinogen receptor antagonist. Homologation of the carboxylic acid function and further structure activity studies led to the development of novel beta-amino acid derivatives, which are potent and orally active antagonists of the platelet fibrinogen receptor GPIIb/IIIa. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00095-4

文献信息

• Peptidyl β-homo-aspartals: Specific inhibitors of interleukin-1β converting enzyme and its homologues (caspases)
  作者：Sándor Bajusz、Irén Fauszt、Klára Németh、Éva Barabás、Attila Juhász、Miklós Patthy

  DOI：10.1016/s0960-894x(98)00244-3

  日期：1998.6

  Inhibition of interleukin-1 beta converting enzyme (ICE), apopain, papain, thrombin and trypsin with substrate like peptidyl L- and D-alpha-aldehydes and their L-beta-homo-aldehyde analogues was investigated. The L-beta-homo-aspartals appear to be specific inhibitors for ICE and its homologues; the other enzymes were not inhibited with such L-beta-homo aldehydes. Papain shows tolerance for D-residues at P-1 depending on their chiral stability. (C) 1998 Elsevier Science Ltd. All rights reserved.