{(S)-1-[(3R,4S)-1-(2-Methoxy-ethyl)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester | 844678-63-3

• 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: {(S)-1-[(3R,4S)-1-(2-Methoxy-ethyl)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
• CAS: 844678-63-3
• 化学式: C₁₈H₃₀N₂O₆
• 分子量: 370.446
• InChiKey: MGOCFHHSTFTKMY-XQQFMLRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  102.01
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  {(S)-1-[(3R,4S)-1-(2-Methoxy-ethyl)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2E,4E)-N-[(1S)-3-[[(2S)-1-[(3R,4S)-1-(2-methoxyethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide
  参考文献：
  名称：

  Pyrrolidinedione derivatives as antibacterial agents with a novel mode of action

  摘要：

  The pseudopeptide pyrrolidinedione natural products moiramide B and andrimid represent a new class of antibiotics that target bacterial fatty acid biosynthesis. Structure activity relationship (SAR) studies revealed a high degree of variability for the fatty acid side chain, allowing optimization of physicochemical parameters, and a restricted SAR for the pyrrolidinedione group, indicating major relevance of this subunit for efficient target binding. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.002
• 作为产物：
  描述：

  (S)-methylsuccinic anhydride 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 {(S)-1-[(3R,4S)-1-(2-Methoxy-ethyl)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Pyrrolidinedione derivatives as antibacterial agents with a novel mode of action

  摘要：

  The pseudopeptide pyrrolidinedione natural products moiramide B and andrimid represent a new class of antibiotics that target bacterial fatty acid biosynthesis. Structure activity relationship (SAR) studies revealed a high degree of variability for the fatty acid side chain, allowing optimization of physicochemical parameters, and a restricted SAR for the pyrrolidinedione group, indicating major relevance of this subunit for efficient target binding. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.002