chloro-acetic acid benzhydryl ester | 90849-28-8

• 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: chloro-acetic acid benzhydryl ester
• 英文别名: Chlor-essigsaeure-benzhydrylester；benzhydryl 2-chloroacetate；diphenylmethylchloroacetate；Benzhydryl alpha-chloroacetate
• CAS: 90849-28-8
• 化学式: C₁₅H₁₃ClO₂
• 分子量: 260.72
• InChiKey: PZHAYLDNAVHZCP-UHFFFAOYSA-N

物化性质

• 沸点：
  169-170 °C(Press: 4 Torr)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chloro-acetic acid benzhydryl ester 在 苯 作用下， 生成 diethyl-benzhydryloxycarbonylmethyl-methyl-ammonium; iodide
  参考文献：
  名称：

  Chiavarelli, Annali di Chimica, 1952, vol. 42, p. 62,64

  摘要：

  DOI：
• 作为产物：
  描述：

  二苯甲醇 、 氯乙酸 在 4-二甲氨基吡啶 、 cerium(III) chloride heptahydrate 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 生成 chloro-acetic acid benzhydryl ester
  参考文献：
  名称：

  Novel N-4-Piperazinyl Ciprofloxacin-Ester Hybrids: Synthesis, Biological Evaluation, and Molecular Docking Studies

  摘要：

  A series of novelN-4-piperazinyl ciprofloxacin-ester hybrids has been synthesized and the structures confirmed by(1)H and(13)C NMR, FT-IR spectral data, and elemental analysis. The products have been testedin vitrofor their antibacterial activity against six bacterial strains (MRSA,Staphylococcus epidermidis,Bacillus subtilis,Escherichia coli,Salmonella enterica, andKlebsiella pneumoniae) and have demonstrated good antibacterial activity with MIC values range 6.25-200 mu g/mL. Antifungal and cytotoxic activities of the products have been tested againstCandida kefyrand human leukemia K562 cell line, respectively. All compounds inhibit growth of K562 cells more efficiently than the parent ciprofoxacin in a dose- and duration-dependent way. Molecular docking studies performed for the compound3iindicates that similarly to ciprofloxacin it can act as an inhibitor ofS. aureusDNA gyrase.

  DOI：

  10.1134/s1070363220080265

文献信息

• 2-oxoazetidin-1-yloxy acetic acids and analogs
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04939253A1

  公开（公告）日：1990-07-03

  Antibiotic activity is exhibited by .beta.-lactams having an ##STR1## substituent (and analogs thereof) in the 1-position and an acylamino substituent in the 3-position.

  β-内酰胺类抗生素在1-位置具有##STR1##取代基（及其类似物），在3-位置具有酰氨基取代基时表现出抗生素活性。
• Synthesis and biological activity of 3-(N-substituted pyridinium-4-thiomethyl)-7.ALPHA.-formamido cephalosporins.
  作者：ANGELA W. GUEST、RICHARD G. ADAMS、MICHAEL J. BASKER、EDWARD G. BRAIN、CLIVE L. BRANCH、FRANK P. HARRINGTON、JANE E. NEALE、MICHAEL J. PEARSON、ISKANDER I. ZOMAYA

  DOI：10.7164/antibiotics.46.1279

  日期：——

  activity of a series of 3-(1-substituted pyridinium-4-thiomethyl)-7 alpha-formamido cephalosporins is described. All the derivatives showed good potency and stability to bacterial beta-lactamases. The antibacterial efficacy seen with the N-alkyl pyridinium substituents was enhanced by the introduction of a catecholic side chain at C-7 and by preparation of N-(substituted amino)pyridinium derivatives

  描述了一系列的3-（1-取代的吡啶鎓-4-硫代甲基）-7α-甲酰胺基头孢菌素的合成和抗菌活性。所有衍生物对细菌β-内酰胺酶均显示出良好的效力和稳定性。通过在C-7处引入侧链侧链并通过制备N-（取代的氨基）吡啶鎓衍生物，增强了用N-烷基吡啶鎓取代基所见的抗菌功效。
• Cephalosporin derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US05403835A1

  公开（公告）日：1995-04-04

  The present invention relates to a compound represented by the structural formula: ##STR1## or its pharmaceutically acceptable salt or ester, which is a novel optically active compound useful as a curing agent for bacterial infections, a process for production thereof and a use thereof.

  本发明涉及一种化合物，其结构式如下：##STR1##或其药学上可接受的盐或酯，该化合物是一种新颖的光学活性化合物，可用作治疗细菌感染的固化剂，以及其生产过程和用途。
• Cephalosporin derivatives, and antibacterial agents
  申请人：Banyu Pharmaceutical Company, Ltd.

  公开号：US04988687A1

  公开（公告）日：1991-01-29

  A compound having the formula: ##STR1## wherein R is a vinyl, phenyl or aralkyl group which may be substituted; or a pharmaceutically acceptable salt, physiologically hydrolyzable ester or solvate thereof.

  一种化合物的化学式为：##STR1## 其中R是乙烯基、苯基或芳基烷基，可以被取代；或其药学上可接受的盐、生理水解酯或溶剂化物。
• Cephalosporin derivatives and antibacterial agents
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US04880797A1

  公开（公告）日：1989-11-14

  A compound having the formula: ##STR1## wherein R is a vinyl, phenyl or aralkyl group which may be substituted; or a pharmaceutically acceptable salt, physiologically hydrolyzable ester or solvate thereof.

  一种化合物的公式为：##STR1## 其中R是一种乙烯基，苯基或芳基烷基，可能带有取代基；或其药学上可接受的盐，生理水解酯或溶剂化物。