benzhydryl 7-amino-3-[(1-methyltetrazol-5-yl)-thio-methyl]-ceph-3-em-4-carboxylate

• 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: benzhydryl 7-amino-3-[(1-methyltetrazol-5-yl)-thio-methyl]-ceph-3-em-4-carboxylate
• 英文别名: benzhydryl 7-amino-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate；benzhydryl 7-amino-3-(1-methyl-1,2,3,4-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate；7-amino-3-(1-methyl-5-tetrazolyl)thiomethyl-3-cephem-4-carboxylic acid diphenylmethyl ester；diphenylmethyl 7-amino-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate；7-amino-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid benzhydryl ester；diphenylmethyl 7-amino-3-[(1-methyl-tetrazol-5-yl)-thiomethyl]-ceph-3-em-4-carboxylate；7-Amino-3-(1-methyl-5-tetrazolyl)thiomethyl-3-cephem-4-carboxylic acid benzhydryl ester；benzhydryl (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C₂₃H₂₂N₆O₃S₂
• 分子量: 494.598
• InChiKey: YDROWRWAIBYYQX-FBLFFUNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  benzhydryl 7-amino-3-[(1-methyltetrazol-5-yl)-thio-methyl]-ceph-3-em-4-carboxylate 在 盐酸 、 trifluoromethanesulfonic acid anhydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 benzhydryl 7-(N-trifluoromethanesulfonylamino)-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylate
  参考文献：
  名称：

  Method of producing oxo-containing azetidinone compounds

  摘要：

  本发明涉及一种生产含氧杂环氨基酮化合物、其盐或水合物的新方法，所述化合物具有抗微生物活性和合成其他具有抗微生物活性的杂环氨基酮化合物的中间体的实用性。

  公开号：

  US04369312A1

文献信息

• Cephalosporin compounds and antibacterial agents
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US05075299A1

  公开（公告）日：1991-12-24

  Novel cephalosporin compounds represented by formula (I): ##STR1## wherein R.sup.1 represents a lower alkyl group which may optionally have a substituent; each of R.sup.2 and R.sup.3 independently represents a hydrogen atom or hydroxy group; and A represents a hydrogen atom or a residue of nucleophilic compound, and pharmacologically acceptable salts or esters thereof exhibit a potent antibacterial activity against gram positive and gram negative bacteria.

  新型头孢菌素化合物，其代表性结构式为（I）：##STR1## 其中R1代表可任选具有取代基的低级烷基；R2和R3各自独立代表氢原子或羟基；A代表氢原子或亲核化合物的残基，及其药理学上可接受的盐或酯，对革兰氏阳性菌和革兰氏阴性菌均显示出强大的抗菌活性。
• Cephalosporin compounds
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US04393058A1

  公开（公告）日：1983-07-12

  Cephalosporin compounds, intermediate compounds therefor, and processes for preparation thereof are described; the compounds have the formula (I) ##STR1## wherein R.sub.1 and R.sub.2 can each represent hydrogen, a hydroxyl group, a lower alkoxy group, or a substituted or unsubstituted phenylalkoxy group; R.sub.3 represents hydrogen or a lower alkyl group; R.sub.4 represents hydrogen or a hydroxyl group; and R.sub.5 represents ##STR2## wherein R.sub.6 is hydrogen, a lower alkyl group, an aminoalkyl group, an aminoaralkyl group, a --(CH.sub.2).sub.n --SO.sub.3 Na group, or a --(CH.sub.2).sub.n --COR.sub.9 group [wherein R.sub.9 is a hydroxyl group, an OM group (wherein M is an alkali metal), an alkoxy group, or an ##STR3## group, (wherein R.sub.10 and R.sub.11, which may be the same or different, can represent hydrogen or an alkyl group), and n is 0 or an integer of from 1 to 4]; R.sub.7 is hydrogen, a lower alkyl group, an amino group, or a substituted or unsubstituted aryl group; and R.sub.8 represents hydrogen or a lower alkyl group; or, a pharmaceutically acceptable salt thereof.

  头孢菌素化合物、其中间体化合物及其制备方法被描述；这些化合物具有式(I)所示的结构： ##STR1## 其中，R1和R2各自可以代表氢、羟基、低级烷氧基或取代或未取代的苯基烷氧基；R3代表氢或低级烷基；R4代表氢或羟基；R5代表： ##STR2## 其中，R6是氢、低级烷基、氨基烷基、氨基芳烷基、--(CH2)n--SO3Na基团或--(CH2)n--COR9基团[其中R9是羟基、OM基团（其中M是碱金属）、烷氧基或： ##STR3## 基团，（其中R10和R11可以相同或不同，可以代表氢或烷基），n是0或1至4的整数]；R7是氢、低级烷基、氨基或取代或未取代的芳基；R8代表氢或低级烷基；或者，其药学上可接受的盐。
• Thiazolylacetamido cephalosporin type compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04098888A1

  公开（公告）日：1978-07-04

  Novel cephem compounds of the formula; ##STR1## wherein R.sup.1 represents amino or hydroxyl group which may be protected, R.sup.2 represents amino or hydroxyl group or a group convertible into these groups, R.sup.3 represents hydrogen or methoxy group or a group convertible into methoxy group, R.sup.4 represents hydrogen or a residue of a nucleophilic compound and R.sup.8 represents hydrogen or a halogen, or a pharmaceutically acceptable salt or ester thereof, have strong antibiotic properties against a wide variety of microorganisms including gram-positive bacteria as well as gram-negative ones, especially by oral administration and can be used as therapeutic agent for various bacterial infections of animals including human beings.

  新型头孢菌素化合物的化学式如下；##STR1## 其中R.sup.1代表氨基或羟基，可以被保护，R.sup.2代表氨基或羟基或可转化为这些基团的基团，R.sup.3代表氢或甲氧基或可转化为甲氧基的基团，R.sup.4代表氢或亲核化合物的残基，R.sup.8代表氢或卤素，或其药用可接受的盐或酯，具有强大的抗生素特性，对包括革兰氏阳性细菌和革兰氏阴性细菌在内的各种微生物具有抗性，特别是经口服给药，可用作动物包括人类的各种细菌感染的治疗剂。
• Method for preserving quaternary ammonium salt
  申请人：——

  公开号：US20030153785A1

  公开（公告）日：2003-08-14

  A method of improving the stability of a quaternary ammonium salt and a method of efficiently preparing the quaternary ammonium salt having improved stability.

  一种提高季铵盐稳定性的方法和一种高效制备稳定性提高的季铵盐的方法。
• Cephem compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04608373A1

  公开（公告）日：1986-08-26

  Novel cephem compounds are provided having the formula: ##STR1## wherein R represents lower alkyl, which may be substituted with lower acyloxy, lower alkylthio or certain 5 or 6-membered heterocyclic ring-containing groups. The cephem compounds and salts thereof exhibit antibacterial activity to many pathogens. A process for producing the cephem compounds is also provided.

  提供具有以下公式的新型头孢菌素化合物：##STR1##其中R代表低碳基，可以用低酰氧基，低烷基硫基或某些含有5或6个成员的杂环环含基团进行取代。头孢菌素化合物及其盐对许多病原体表现出抗菌活性。还提供了一种生产头孢菌素化合物的方法。