di-tert-butyl 4-(2-tert-butoxycarbonylethyl)-4-(3,3-diundecylureido)heptanedioate | 943545-32-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: di-tert-butyl 4-(2-tert-butoxycarbonylethyl)-4-(3,3-diundecylureido)heptanedioate
• CAS: 943545-32-2
• 化学式: C₄₅H₈₆N₂O₇
• 分子量: 767.187
• InChiKey: RFELOUUDNAQOLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.16
• 重原子数：
  54.0
• 可旋转键数：
  30.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  111.24
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  di-tert-butyl 4-(2-tert-butoxycarbonylethyl)-4-(3,3-diundecylureido)heptanedioate 在 甲酸 作用下， 反应 9.0h， 以77%的产率得到4-(2-Carboxyethyl)-4-[di(undecyl)carbamoylamino]heptanedioic acid
  参考文献：
  名称：

  Synthesis and antimicrobial activity of symmetrical two-tailed dendritic tricarboxylato amphiphiles

  摘要：

  Two series of water-soluble, symmetrical two-tailed homologous dendritic amphiphiles-R2NCONHC((CH2)(2)COOH)(3), 2(n,n), and R2CHNHCONHC((CH2))(2)COOH)(3), 3(n,n), where R = n-CnH2n+1-were synthesized and compared to R"NHCONHC((CH2)(2)CoOH)(3), 1(n), R" = n-CnH2n+1, to determine whether antimicrobial activity was influenced by total or individual alkyl chain lengths, and whether antimicrobial activity depends on hydrophobicity or tail topology (one or two). In a broad screen of 11 microorganisms, 2(n,n) and 3(n,n) generally displayed higher minimal inhibitory concentrations (MICs) than I(n) against growth as measured by broth microdilution assays. Chain-length specificity was observed against Candida albicans as 1(16), 2(8,8), and 3(8,8) showed the lowest MIC in their respective series. The one case where two-tailed compounds displayed the lowest MICs-3(10,10), 15 mu M; 3(11,11), 7.2 mu M; and 3(12,12), 6.9 mu M-was against Cryptococcus neoformans. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.017
• 作为产物：
  描述：

  十一烷酰氯 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 0.25h， 生成 di-tert-butyl 4-(2-tert-butoxycarbonylethyl)-4-(3,3-diundecylureido)heptanedioate
  参考文献：
  名称：

  Synthesis and antimicrobial activity of symmetrical two-tailed dendritic tricarboxylato amphiphiles

  摘要：

  Two series of water-soluble, symmetrical two-tailed homologous dendritic amphiphiles-R2NCONHC((CH2)(2)COOH)(3), 2(n,n), and R2CHNHCONHC((CH2))(2)COOH)(3), 3(n,n), where R = n-CnH2n+1-were synthesized and compared to R"NHCONHC((CH2)(2)CoOH)(3), 1(n), R" = n-CnH2n+1, to determine whether antimicrobial activity was influenced by total or individual alkyl chain lengths, and whether antimicrobial activity depends on hydrophobicity or tail topology (one or two). In a broad screen of 11 microorganisms, 2(n,n) and 3(n,n) generally displayed higher minimal inhibitory concentrations (MICs) than I(n) against growth as measured by broth microdilution assays. Chain-length specificity was observed against Candida albicans as 1(16), 2(8,8), and 3(8,8) showed the lowest MIC in their respective series. The one case where two-tailed compounds displayed the lowest MICs-3(10,10), 15 mu M; 3(11,11), 7.2 mu M; and 3(12,12), 6.9 mu M-was against Cryptococcus neoformans. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.017