(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 86070-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 86070-92-0
• 化学式: C₁₄H₁₄IN₅O₅S₂
• 分子量: 523.332
• InChiKey: YSYLGOIGKGZHSL-NDLSKCPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  201
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 、 在 N-甲基-N-(三甲基硅烷基)三氟乙酰胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 20.0h， 生成 (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[(5-carbamoyl-3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-methylamino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of 3-[ N -methyl- N -(3-methyl-1,3-thiazolium-2-yl)amino]methyl cephalosporin derivatives

  摘要：

  The new cephalosporins having N-linked quarternary ammonium salt at C-3 position were prepared from the reaction of 2-methylimino-3-methyl-1,3-thiazoline derivatives with cephalosporins. Also antimicrobial activities of those compounds were determined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00130-x
• 作为产物：
  描述：

  头孢噻肟 在 碘代三甲硅烷 、 N-甲基-N-(三甲基硅烷基)三氟乙酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of 3-[ N -methyl- N -(3-methyl-1,3-thiazolium-2-yl)amino]methyl cephalosporin derivatives

  摘要：

  The new cephalosporins having N-linked quarternary ammonium salt at C-3 position were prepared from the reaction of 2-methylimino-3-methyl-1,3-thiazoline derivatives with cephalosporins. Also antimicrobial activities of those compounds were determined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00130-x

文献信息

• Cephem compounds having at the 3-position a
  申请人：Eisai Co., Ltd.

  公开号：US04748171A1

  公开（公告）日：1988-05-31

  Described herein is a cephem derivative represented by the general formula: ##STR1## wherein n stands for 1 or 2, Y stands for CH or nitrogen atoms, R.sub.1 represents a lower hydrocarbon group or a carboxyl-substituted, a carbamoyl-substituted, or a cyclopropyl-substituted lower alkyl group, and R.sub.2 denotes hydroxyl group, a lower alkyl group, a hydroxy-substituted lower alkyl group, or carbamoyl group. The derivative is useful as an antibacterial agent. Also described herein are processes for the production of the derivative, antibacterial composition, intermediate of the derivative and process for the production thereof.

  本文描述了一种由一般公式表示的头孢菌素衍生物：##STR1## 其中n表示1或2，Y表示CH或氮原子，R.sub.1代表较低的烃基或羧基取代、氨基甲酰基取代或环丙基取代的较低烷基，R.sub.2表示羟基、较低烷基、羟基取代的较低烷基或氨基甲酰基。该衍生物可用作抗菌剂。本文还描述了该衍生物的生产过程、抗菌组合物、衍生物的中间体以及其生产过程。
• Cephem derivatives
  申请人：Eisai Co., Ltd.

  公开号：US05008260A1

  公开（公告）日：1991-04-16

  Described herein is a cephem derivative represented by the general formula: ##STR1## wherein n stands for 1 or 2, Y stands for CH or nitrogen atom, R.sub.1 represents a lower hydrocarbon group or a carboxyl-substituted, a carbamoyl-substituted, or a cyclopropyl-substituted lower alkyl group, and R.sub.2 denotes hydroxyl group, a lower alkyl group, a hydroxy-substituted lower alkyl group, or carbamoyl group. The derivative is useful as an antibacterial agent. Also described herein are processes for the production of the derivative, antibacterial composition, intermediate of the derivative and process for the production thereof.

  本文描述了一种以普通公式表示的头孢菌素衍生物：##STR1## 其中n代表1或2，Y代表CH或氮原子，R.sub.1代表较低的碳氢基团或羧基取代的、氨基甲酰取代的或环丙基取代的较低烷基基团，R.sub.2代表羟基、较低的烷基基团、羟基取代的较低烷基基团或氨基甲酰基。该衍生物可用作抗菌剂。本文还描述了衍生物的生产过程、抗菌组合物、衍生物的中间体以及其生产过程。
• Seibert; Klesel; Limbert, Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 8, p. 1084 - 1086
  作者：Seibert、Klesel、Limbert、et al.

  DOI：——

  日期：——
• YAMAUCHI, HIROSHI;SUGIYAMA, ISAO;SAITO, ISAO;NOMOTO, SEIICHIRO;KAMIYA, TA+
  作者：YAMAUCHI, HIROSHI、SUGIYAMA, ISAO、SAITO, ISAO、NOMOTO, SEIICHIRO、KAMIYA, TA+

  DOI：——

  日期：——
• US4748171A
  申请人：——

  公开号：US4748171A

  公开（公告）日：1988-05-31