D-4-chlorophenylalanine ethyl ester | 166449-97-4

• 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: D-4-chlorophenylalanine ethyl ester
• 英文别名: ethyl D-4-chlorophenylalaninate；ethyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
• CAS: 166449-97-4
• 化学式: C₁₁H₁₄ClNO₂
• 分子量: 227.691
• InChiKey: ASDQNFHVGOPSDD-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  DL-4-氯苯丙氨酸 在 氯化亚砜 作用下， 反应 15.0h， 生成 D-4-chlorophenylalanine ethyl ester
  参考文献：
  名称：

  Synthesis and antitumor activity of platinum(II) complexes containing substituted ethylenediamine ligands

  摘要：

  DOI：

  10.1016/0223-5234(90)90162-v

文献信息

• Clostridium difficile toxin inhibitors
  申请人：Venenum Biodesign, LLC

  公开号：US10669242B2

  公开（公告）日：2020-06-02

  The present invention relates to benzodiazepine derivative compounds of formula (I), or pharmaceutically acceptable salts thereof. The present benzodiazepine compounds are useful Clostridium difficile inhibitors in the treatment of Clostridium difficile infection in humans. The present invention provides a pharmaceutical composition containing benzodiazepine compounds of formula (I) and a method of making as well as a method of using the same in treating patients infected with Clostridium difficile infection by administering the same. The compounds of the present invention may be used in combination with additional antibiotics or anti-toxin antibody drugs.

  本发明涉及式（I）的苯二氮杂卓衍生物化合物或其药学上可接受的盐类。本发明的苯二氮杂卓化合物是治疗人类艰难梭菌感染的有用的艰难梭菌抑制剂。本发明提供了一种含有式（I）苯并二氮杂卓化合物的药物组合物及其制造方法，以及通过给药治疗感染艰难梭菌的患者的方法。本发明的化合物可与其他抗生素或抗毒素抗体药物联合使用。
• Using ionic liquid [EMIM][CH3COO] as an enzyme-‘friendly’ co-solvent for resolution of amino acids
  作者：Hua Zhao、Lee Jackson、Zhiyan Song、Olarongbe Olubajo

  DOI：10.1016/j.tetasy.2006.09.009

  日期：2006.10

  An ionic liquid (IL), 1-ethyl-3-methylimidazolium acetate [EMIM][CH3COO], was used in 0-4.0 M (similar to 60% IL, v/v), as a nonvolatile organic medium for the enzymatic resolution of amino acids. When DL-phenylalanine methyl ester was studied as a model substrate, high enantiomeric excesses (ee) Of L-amino acid were obtained in all ionic concentrations; however, lower yields were observed at high IL concentrations. This IL is more enzyme-'friendly' than the hydrophilic organic solvent acetonitrile and those ILs containing chaotropic anions (such as [EMIM][OTs]). Among three proteases and two lipases investigated, lyophilized Bacillus licheniformis protease exhibited the best enantio selectivity and activity. Highly enantio selective resolutions were also produced for several other amino acids in 2.0 M IL. Interestingly, high ee were also found in deuterium oxide (D2O) rather than in ordinary water, and a further enhancement was achieved with the co-existence of [EMIM][CH3COO]. The heavy water effect was explained in terms of protein stabilization by D2O. The secondary structural changes of enzyme in various media were interpreted by the second derivatives of FT-IR spectra. (c) 2006 Elsevier Ltd. All rights reserved.
• Novel Clostridium Difficile Toxin Inhibitors
  申请人：Venenum Biodesign, LLC

  公开号：US20190194147A1

  公开（公告）日：2019-06-27

  The present invention relates to benzodiazepine derivative compounds of formula (I), or pharmaceutically acceptable salts thereof. The present benzodiazepine compounds are useful Clostridium difficile inhibitors in the treatment of Clostridium difficile infection in humans. The present invention provides a pharmaceutical composition containing benzodiazepine compounds of formula (I) and a method of making as well as a method of using the same in treating patients infected with Clostridium difficile infection by administering the same. The compounds of the present invention may be used in combination with additional antibiotics or anti-toxin antibody drugs.
• Synthesis and antitumor activity of platinum(II) complexes containing substituted ethylenediamine ligands
  作者：Henri Brunner、Peter Hankofer、Ulrich Holzinger、Barbara Treittinger、Helmut Schönenberger

  DOI：10.1016/0223-5234(90)90162-v

  日期：1990.2