丁酰胺,2-氨基-N-(3-溴丙基)-3-甲基-,(S)- | 140627-07-2

• 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
• 中文名称: 丁酰胺,2-氨基-N-(3-溴丙基)-3-甲基-,(S)-
• 英文名称: (S)-2-Amino-N-(3-bromo-propyl)-3-methyl-butyramide
• 英文别名: (2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
• CAS: 140627-07-2
• 化学式: C₈H₁₇BrN₂O
• 分子量: 237.14
• InChiKey: TYTNKINIASVNCR-ZETCQYMHSA-N

物化性质

• 沸点：
  356.2±27.0 °C(Predicted)
• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  丁酰胺,2-氨基-N-(3-溴丙基)-3-甲基-,(S)- 在 四丁基碘化铵 、 caesium carbonate 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 生成 (8S,11S)-11-Amino-8-isopropyl-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7,10-dione
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of HIV/FIV protease inhibitors incorporating a conformationally constrained macrocycle with a small P3′ residue

  摘要：

  A series of norstatine-based HIV/FIV protease inhibitors incorporating a 15-membered macrocycle as a mimic of the tripeptide (Ala-Val-Phe), a motif with a small P3' residue effective against the FIV protease and the drug-resistant HIV proteases, has been synthesized. It was found that the macrocycle is important to the overall activity of the inhibitors. Certain inhibitors were developed expressing low nanomolar inhibitory activity against the HIV/FIV proteases and they are also effective against some drug-resistant as well as TL3-resistant HIV proteases. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00641-7
• 作为产物：
  描述：

  (S)-N'-(3'-bromopropyl)-3-methyl-2-(N-tert-butyloxycarbonylamino)butyramide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 丁酰胺,2-氨基-N-(3-溴丙基)-3-甲基-,(S)-
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of HIV/FIV protease inhibitors incorporating a conformationally constrained macrocycle with a small P3′ residue

  摘要：

  A series of norstatine-based HIV/FIV protease inhibitors incorporating a 15-membered macrocycle as a mimic of the tripeptide (Ala-Val-Phe), a motif with a small P3' residue effective against the FIV protease and the drug-resistant HIV proteases, has been synthesized. It was found that the macrocycle is important to the overall activity of the inhibitors. Certain inhibitors were developed expressing low nanomolar inhibitory activity against the HIV/FIV proteases and they are also effective against some drug-resistant as well as TL3-resistant HIV proteases. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00641-7