butyl 4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoate

• 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: butyl 4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoate
• 化学式: C₁₅H₁₉N₃O₃
• 分子量: 289.33
• InChiKey: UUZXGSHUFRYDQJ-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS<br/>[FR] DÉRIVÉS D'ALBICIDINE, LEUR UTILISATION ET LEUR SYNTHÈSE
  申请人：TECH UNIVERSITÄT BERLIN

  公开号：WO2014125075A1

  公开（公告）日：2014-08-21

  The present invention relates to a antibiotically active compounds characterized by general formula (I), wherein X1, BB, BC, BD, BE and X2 are building blocks with D1, D2, D3, D4 or D5 being linkers which comprise carbon, sulphur, nitrogen, phosphor and/or oxygen atoms and which are covalently connecting the moities BA and BB, BB and BC, BC and BD, BD and BE and BE and BF, respectively, and wherein in particular the building block BC comprises an amino acid derivative. The invention relates further to said compounds for use in a method of treatment of diseases, in particular for use in a method of treatment of bacterial infections.

  本发明涉及一种抗生素活性化合物，其特征在于一般式（I），其中X1、BB、BC、BD、BE和X2是具有D1、D2、D3、D4或D5为连接物的构建块，该连接物包括碳、硫、氮、磷和/或氧原子，并以共价键连接BA和BB、BB和BC、BC和BD、BD和BE以及BE和BF的基团，特别是构建块BC包括氨基酸衍生物。该发明还涉及上述化合物用于治疗疾病的方法，特别是用于治疗细菌感染的方法。
• ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS
  申请人：TECHNISCHE UNIVERSITÄT BERLIN

  公开号：US20150376120A1

  公开（公告）日：2015-12-31

  Antibiotically active compounds characterized by general formula (I), wherein X1, BB, BC, BD, BE and X2 are building blocks with D1, D2, D3, D4 or D5 being linkers which include carbon, sulphur, nitrogen, phosphor and/or oxygen atoms and which are covalently connecting the moities BA and BB, BB and BC, BC and BD, BD and BE and BE and BF, respectively, and wherein in particular the building block BC comprises an amino acid derivative. The compounds for use in a method of treatment of diseases, in particular for use in a method of treatment of bacterial infections are also disclosed.

  具有一般式（I）的抗生素活性化合物的特征，其中X1、BB、BC、BD、BE和X2是具有D1、D2、D3、D4或D5连接器的构建块，包括碳、硫、氮、磷和/或氧原子，并且共价连接BA和BB、BB和BC、BC和BD、BD和BE以及BE和BF的基团，其中特别是构建块BC包括一种氨基酸衍生物。该化合物用于治疗疾病的方法，特别是用于治疗细菌感染的方法。