Boc-Glu(OPfp)-OPfp | 1041478-28-7

• 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: Boc-Glu(OPfp)-OPfp
• 英文别名: bis(2,3,4,5,6-pentafluorophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
• CAS: 1041478-28-7
• 化学式: C₂₂H₁₅F₁₀NO₆
• 分子量: 579.348
• InChiKey: KNPCNMWJXSOOJU-LURJTMIESA-N

物化性质

• 熔点：
  128-132 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  562.7±50.0 °C(Predicted)
• 密度：
  1.526±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  Boc-Glu(OPfp)-OPfp 、 Boc-Arg(NO2)-Leu-Ala-Arg(NO2)-OCH3 在 三氟乙酸 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.17h， 以92%的产率得到Boc-Glu[Arg(NO2)-Leu-Ala-Arg(NO2)-OCH3]2
  参考文献：
  名称：

  Branched antimicrobial peptides

  摘要：

  Branched peptides E(RLAR)(2), E[E(RLAR)(2)](2), and E(KLAR)(2), E[E(KLAR)(2)](2) were synthesized on the basis of tetrapeptides RLAR and KLAR and glutamic acid bis(pentafluorophenyl) ester. Their minimal antimicrobial concentrations were shown to decrease along with increase in branching, achieving 12 mu M for Escherichia coli cells, which is comparable to antimicrobial activities of temporin, magainin, and dermaseptin. The branched peptides were found not to act on human erythrocytes.

  DOI：

  10.1134/s1068162007060027
• 作为产物：
  描述：

  五氟苯酚 、 Boc-L-谷氨酸 在 N,N'-二环己基碳二亚胺 作用下， 以 乙腈 为溶剂， 反应 24.5h， 以84%的产率得到Boc-Glu(OPfp)-OPfp
  参考文献：
  名称：

  Synthesis and antifungal properties of arginine-containing hemin derivatives

  摘要：

  Due to a steadily increasing number of clinical isolates of microscopic fungi that show resistance to conventionally administered antimycotics, the specialists involved have constantly been searching for novel fungicidal agents among various classes of chemical compounds. The present study was aimed at synthesizing and assessing the activity of arginine-containing hemin derivatives against strains of Candida albicans and Cryptococcus neoformans insensitive to commonly used antifungal agents. A hemin conjugate with a branched arginine-containing peptide was shown to exhibit in vitro fungicidal activity at a concentration of 25 mu M and inhibit the growth of the yeast-like fungus Candida albicans at concentrations as low as 12.5 mu M.

  DOI：

  10.1007/s00044-011-9928-2

文献信息

• ANTIMICROBIAL AGENTS BASED ON HEMIN DERIVATIVES
  申请人：Nebolsin Vladimir Evgenievich

  公开号：US20120264724A1

  公开（公告）日：2012-10-18

  The invention relates to novel antimicrobial, including antibacterial and antifungal, agents and compositions based on hemin derivatives of general formula (I), and also to the production of novel hemin derivatives. The advantages of antibacterial agents based on hemin derivatives are their biocompatibility, biodegradability, high effectiveness against resistant bacteria and widespread microfungi that are harmful to humans, and freedom from toxicity and side effects.

  这项发明涉及基于一般式(I)的血红素衍生物的新型抗微生物药物，包括抗菌和抗真菌剂以及组合物，还涉及新型血红素衍生物的生产。基于血红素衍生物的抗菌剂的优点在于它们具有生物相容性、生物降解性、对抗耐药细菌和对人类有害的广泛微真菌高效，并且不具有毒性和副作用。