methyl 2-acetamido-4-(2-acetamido-5-methoxy-4-nitrobenzamido)-5-methoxybenzoate | 1378949-43-9

• 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: methyl 2-acetamido-4-(2-acetamido-5-methoxy-4-nitrobenzamido)-5-methoxybenzoate
• 英文别名: Methyl 2-acetamido-4-[(2-acetamido-5-methoxy-4-nitrobenzoyl)amino]-5-methoxybenzoate；methyl 2-acetamido-4-[(2-acetamido-5-methoxy-4-nitrobenzoyl)amino]-5-methoxybenzoate
• CAS: 1378949-43-9
• 化学式: C₂₁H₂₂N₄O₉
• 分子量: 474.427
• InChiKey: LKBQDPWQQVHGDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  178
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  methyl 2-acetamido-4-(2-acetamido-5-methoxy-4-nitrobenzamido)-5-methoxybenzoate 在 氯化亚砜 、 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 39.0h， 生成 methyl 2-acetamido-4-(2-acetamido-4-(2-amino-5-methoxy-4-nitrobenzamido)-5-methoxybenzamido)-5-methoxybenzoate hydrochloride
  参考文献：
  名称：

  Double-sided α-helix mimetics

  摘要：

  The design and synthesis of substituted bis- and tris-benzamides is reported in which the projection of side-chain residues on both sides of an alpha-helix is reproduced. The scaffold is conformationally constrained by a series of intramolecular hydrogen bonds, allowing for spatial and angular mimicry of the i, i+2, i+4 and i+6 side-chains in the case of the bis-benzamide, and may be extended to higher-order oligomers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.010
• 作为产物：
  描述：

  2-甲基-4-甲氧基苯胺 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 potassium permanganate 、 氯化亚砜 、 magnesium sulfate 、 三氟乙酸 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.5h， 生成 methyl 2-acetamido-4-(2-acetamido-5-methoxy-4-nitrobenzamido)-5-methoxybenzoate
  参考文献：
  名称：

  Double-sided α-helix mimetics

  摘要：

  The design and synthesis of substituted bis- and tris-benzamides is reported in which the projection of side-chain residues on both sides of an alpha-helix is reproduced. The scaffold is conformationally constrained by a series of intramolecular hydrogen bonds, allowing for spatial and angular mimicry of the i, i+2, i+4 and i+6 side-chains in the case of the bis-benzamide, and may be extended to higher-order oligomers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.010

文献信息

• Double-sided α-helix mimetics
  作者：Sam Thompson、Ramakrishnan Vallinayagam、Marc J. Adler、Richard T.W. Scott、Andrew D. Hamilton

  DOI：10.1016/j.tet.2011.11.010

  日期：2012.6

  The design and synthesis of substituted bis- and tris-benzamides is reported in which the projection of side-chain residues on both sides of an alpha-helix is reproduced. The scaffold is conformationally constrained by a series of intramolecular hydrogen bonds, allowing for spatial and angular mimicry of the i, i+2, i+4 and i+6 side-chains in the case of the bis-benzamide, and may be extended to higher-order oligomers. (C) 2011 Elsevier Ltd. All rights reserved.