(S)-7-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-heptanoic acid methyl ester | 153074-94-3

• 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)-7-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-heptanoic acid methyl ester
• 英文别名: Heptanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (S)-；methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-(phenylmethoxycarbonylamino)heptanoate
• CAS: 153074-94-3
• 化学式: C₂₁H₃₂N₂O₆
• 分子量: 408.495
• InChiKey: RRPAAPQUQGMMCD-KRWDZBQOSA-N

物化性质

• 沸点：
  555.0±50.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-7-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-heptanoic acid methyl ester 在 盐酸 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)-7-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-heptanoic 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

• 2,2′-dithiobisbenzamides derived from α-, β- and γ-amino acids possessing anti-HIV activities: synthesis and structure–activity relationship
  作者：J.V.N Vara Prasad、Joseph A Loo、Frederick E Boyer、Michael A Stier、Rocco D Gogliotti、William J Turner、Patricia J Harvey、Melissa R Kramer、David P Mack、Jefferey D Scholten、Stephen J Gracheck、John M Domagala

  DOI：10.1016/s0968-0896(98)00118-7

  日期：1998.10

  2'-dithiobisbenzamides derived from alpha-, beta- and gamma-amino acids. Electrospray ionization mass spectrometry was used to study the zinc-ejection activity of these compounds. Among the alpha-amino acid derived 2,2'-dithiobisbenzamides, analogues containing alkyl side chains were found to be antivirally active with good therapeutic indices. 2,2'-Dithiobisbenzamides, derived from beta- and gamma-amino

  含有高度保守的逆转录病毒锌指的核衣壳蛋白（NCp7）在人类免疫缺陷病毒（HIV）生命周期的早期和晚期都是必不可少的，并且是AIDS治疗的新目标。HIV-1 NCp7是基本的55个氨基酸氨基酸蛋白，在两侧各含两个C（X）2C（X）4H（X）4C基序锌指。先前已报道2,2'-二硫代双苯甲酰胺从这些NCp7锌指中释放锌，并抑制HIV复制。具体而言，衍生自简单氨基酸的2,2'-二硫代双苯甲酰胺显示出良好的抗病毒活性。苯并异噻唑酮3（2的环状衍生物）被选为临床试验中的艾滋病治疗剂。本文中我们报告了2,2'的合成和抗病毒活性，包括治疗指数 衍生自α-，β-和γ-氨基酸的β-二硫代双苯甲酰胺。电喷雾电离质谱法用于研究这些化合物的锌喷射活性。在α-氨基酸衍生的2,2'-二硫代双苯甲酰胺中，发现含有烷基侧链的类似物具有良好的治疗指数，具有抗病毒活性。发现衍生自β-和γ-氨基酸的2,2'-二硫代双苯甲酰胺比α
• Cell adhesion inhibitors
  申请人：Biogen Idec MA, Inc.

  公开号：EP1741428A2

  公开（公告）日：2007-01-10

  A cell adhesion inhibitor of the general formula: R3-L-L'-R1 is disclosed. An inhibitor of the present invention interacts with VLA-4 molecules and inhibits VLA-4 dependent cell adhesion. Also disclosed are methods for preparing and using such a cell adhesion inhibitor, as well as pharmaceutical compositions containing the same.

  本发明公开了一种通式为R3-L-L'-R1 的细胞粘附抑制剂。本发明的抑制剂与 VLA-4 分子相互作用，抑制依赖 VLA-4 的细胞粘附。还公开了制备和使用这种细胞粘附抑制剂的方法，以及含有这种抑制剂的药物组合物。
• Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists
  作者：Georg Kottirsch、Hans-Günther Zerwes、Nigel S. Cook、Carlo Tapparelli

  DOI：10.1016/s0960-894x(97)00095-4

  日期：1997.3

  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.