(2R)-7,7'-(1,1'-binaphthyl-2,2'-bisoxy)-2,2'-di{3-[(2,3-dihydro-2,2,4,6,7-pentamethyl-2H-1-benzofuran-5-yl)sulfonyl]guanidinopropyl}-3,3'-diaza-4,4'-dioxodiheptanoic acid | 1114962-82-1

• 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: (2R)-7,7'-(1,1'-binaphthyl-2,2'-bisoxy)-2,2'-di{3-[(2,3-dihydro-2,2,4,6,7-pentamethyl-2H-1-benzofuran-5-yl)sulfonyl]guanidinopropyl}-3,3'-diaza-4,4'-dioxodiheptanoic acid
• 英文别名: (2R)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-[4-[1-[2-[4-[[(1R)-4-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-carboxybutyl]amino]-4-oxobutoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutanoylamino]pentanoic acid
• CAS: 1114962-82-1
• 化学式: C₆₈H₈₆N₈O₁₄S₂
• 分子量: 1303.61
• InChiKey: UGOULSCNCLJORF-YWSWRHJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  92
• 可旋转键数：
  29
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  356
• 氢给体数：
  8
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  2-吡啶甲醇 、 (2R)-7,7'-(1,1'-binaphthyl-2,2'-bisoxy)-2,2'-di{3-[(2,3-dihydro-2,2,4,6,7-pentamethyl-2H-1-benzofuran-5-yl)sulfonyl]guanidinopropyl}-3,3'-diaza-4,4'-dioxodiheptanoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以64%的产率得到
  参考文献：
  名称：

  Synthesis and antibacterial activity of C2-symmetric binaphthyl scaffolded amino acid derivatives

  摘要：

  The synthesis of eleven novel antibacterial agents is reported. The structures are based on a C-2-symmetric binaphthyl scaffold which holds two identical chains consisting of a short linker, a basic amino acid and a small hydrophobic side chain. Antibacterial activity is revealed for a number of derivatives down to an MIC of 2 mu g/mL (2 mu M) against Staphylococcus aureus - comparable to vancomycin, and an MIC of 31 mu g/mL (31 mu M) against some vancomycin-resistant enterococcal strains. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.06.024
• 作为产物：
  描述：

  dimethyl (2R)-7,7'-(1,1'-binaphthyl-2,2'-bisoxy)-2,2'-di{3-[(2,3-dihydro-2,2,4,6,7-pentamethyl-2H-1-benzofuran-5-yl)sulfonyl]guanidinopropyl}-3,3'-diaza-4,4'-dioxodiheptanoate 在 lithium hydroxide 、 potassium hydrogensulfate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.5h， 以74%的产率得到(2R)-7,7'-(1,1'-binaphthyl-2,2'-bisoxy)-2,2'-di{3-[(2,3-dihydro-2,2,4,6,7-pentamethyl-2H-1-benzofuran-5-yl)sulfonyl]guanidinopropyl}-3,3'-diaza-4,4'-dioxodiheptanoic acid
  参考文献：
  名称：

  Synthesis and antibacterial activity of C2-symmetric binaphthyl scaffolded amino acid derivatives

  摘要：

  The synthesis of eleven novel antibacterial agents is reported. The structures are based on a C-2-symmetric binaphthyl scaffold which holds two identical chains consisting of a short linker, a basic amino acid and a small hydrophobic side chain. Antibacterial activity is revealed for a number of derivatives down to an MIC of 2 mu g/mL (2 mu M) against Staphylococcus aureus - comparable to vancomycin, and an MIC of 31 mu g/mL (31 mu M) against some vancomycin-resistant enterococcal strains. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.06.024

文献信息

• WO2006/74501
  申请人：——

  公开号：——

  公开（公告）日：——