benzhydryl 3-hydroxymethyl-7-phenylacetamido-3-cephem-4-carboxylate

• 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: benzhydryl 3-hydroxymethyl-7-phenylacetamido-3-cephem-4-carboxylate
• 英文别名: benzhydryl 7-phenylacetamido-3-hydroxymethyl-3-cephem-4-carboxylate；benzhydryl (6R)-3-(hydroxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C₂₉H₂₆N₂O₅S
• 分子量: 514.602
• InChiKey: YLOQFPCGJCRAPQ-ITCMONMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzhydryl 3-hydroxymethyl-7-phenylacetamido-3-cephem-4-carboxylate 在 吡啶 、 五氯化磷 、 碳酸氢钠 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 diphenylmethyl 7-amino-3-chloromethyl-3-cephem-4-carboxylate
  参考文献：
  名称：

  Substituted vinylcephalosporins

  摘要：

  该公式为##STR1##的.beta.-内酰胺化合物，其中R.sup.5代表环丙基或甲基，可用作抗生素。

  公开号：

  US05171854A1
• 作为产物：
  描述：

  sodium;(6R)-3-(acetyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 生成 benzhydryl 3-hydroxymethyl-7-phenylacetamido-3-cephem-4-carboxylate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Cephalosporins
  申请人：Bristol-Myers Company

  公开号：US04406899A1

  公开（公告）日：1983-09-27

  Compounds of the formula ##STR1## wherein R.sup.1 is hydrogen or a conventional amino-protecting group, and R.sup.2 is a straight or branched chain alkyl group containing from 1 to 4 carbon atoms, allyl, 2-butenyl or 3-butenyl, and nontoxic pharmaceutically acceptable salts and solvates thereof, as well as processes for their preparation, are disclosed. The compounds in which R.sup.1 is hydrogen are potent antibacterial agents.

  该公式化合物的化合物中，其中R.sup.1是氢或传统的氨基保护基团，而R.sup.2是含有1至4个碳原子的直链或支链烷基基团，烯丙基，2-丁烯基或3-丁烯基，以及其无毒的药用可接受盐和溶剂，以及它们的制备方法。其中R.sup.1为氢时的化合物是有效的抗菌剂。
• Cephalosporin derivatives
  申请人：Bristol-Myers Company

  公开号：US04394503A1

  公开（公告）日：1983-07-19

  Potent antibacterial agents of the formula ##STR1## wherein R is methyl, ethyl or isopropyl, and their pharmaceutically acceptable salts, physiologically hydrolyzable esters and solvates, and processes for their preparation, are described.

  描述了公式##STR1##的强效抗菌剂，其中R为甲基、乙基或异丙基，以及它们的药用可接受盐、生理可水解酯和溶剂化合物，以及它们的制备方法。
• 3-Quaternary ammonium methyl)-substituted cephalosporin derivatives
  申请人：Bristol-Myers Company

  公开号：US04457929A1

  公开（公告）日：1984-07-03

  Compounds of the formula ##STR1## wherein R.sup.1 is hydrogen or a conventional amino-protecting group, R.sup.2 and R.sup.3 each are independently methyl or ethyl, and R.sup.4 is methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, allyl, 2-butenyl, 3-butenyl, 2-hydoxyethyl, 3-hydroxypropyl, 2-(dimethylamino)ethyl, pyridylmethyl, pyridylethyl, benzyl or phenethyl, and nontoxic pharmaceutically acceptable acid addition salts and solvates thereof, as well as processes for their preparation, are disclosed. The compounds in which R.sup.1 is hydrogen are potent antibacterial agents.

  本发明揭示了化学式 ##STR1## 的化合物，其中R.sup.1是氢或传统的氨基保护基，R.sup.2和R.sup.3各自独立地是甲基或乙基，而R.sup.4是甲基、乙基、正丙基、异丙基、正丁基、异丁基、烯丙基、2-丁烯基、3-丁烯基、2-羟乙基、3-羟丙基、2-(二甲氨基)乙基、吡啶基甲基、吡啶基乙基、苄基或苯乙基，以及其非毒性药学上可接受的酸盐和溶剂化合物，以及它们的制备方法。其中R.sup.1为氢的化合物是有效的抗菌剂。
• Chemical compounds
  申请人：Bristol-Myers Company

  公开号：US04507487A1

  公开（公告）日：1985-03-26

  Compounds of the formula ##STR1## wherein R.sup.1 is hydrogen or a conventional amino-protecting group, R.sup.2 is a straight or branched chain alkyl group containing from 1 to 4 carbon atoms, allyl, 2-butenyl, 3-butenyl, propargyl, 2-butynyl, 3-butynyl, cycloalkyl containing from 3 to 6 carbon atoms or a group of the formula ##STR2## in which R.sup.3 and R.sup.4 each are independently hydrogen, methyl or ethyl, or R.sup.3 and R.sup.4, taken together with the carbon atom to which they are attached, may be a cycloalkylidene ring containing from 3 to 6 carbon atoms or a substituted cyclobutylidene ring of the formula ##STR3## wherein X is halogen, hydroxy or (lower)alkoxy, and R.sup.5 and R.sup.6 each are independently hydrogen, halogen, amino, carbamoyl, acylamino, acyloxy, (lower)alkyl, (lower)alkenyl, (lower)alkoxy, (lower)alkylamino or (lower)alkylthio, in which each (lower)alkyl, (lower)alkoxy, (lower)alkylamino or (lower)alkylthio group may contain 1 or 2 substituents selected from amino, carboxy, halogen and nontoxic pharmaceutically acceptable acid addition salts, physiologically hydrolyzable esters and solvates thereof, as well as processes for their preparation, are disclosed. The compounds in which R.sup.1 is hydrogen are potent antibacterial agents.

  本发明涉及公式##STR1##的化合物，其中R.sup.1为氢或传统的氨基保护基，R.sup.2为直链或支链烷基，含有1至4个碳原子，烯丙基，2-丁烯基，3-丁烯基，丙炔基，2-丁炔基，3-丁炔基，含有3至6个碳原子的环烷基或公式##STR2##的基团，其中R.sup.3和R.sup.4各自独立地为氢，甲基或乙基，或R.sup.3和R.sup.4与它们所连接的碳原子一起，可以是含有3至6个碳原子的环烷亚基环或公式##STR3##的取代环丁烷亚基环，其中X为卤素，羟基或(较低)烷氧基，R.sup.5和R.sup.6各自独立地为氢，卤素，氨基，氨基甲酰，酰胺基，酰氧基，(较低)烷基，(较低)烯基，(较低)烷氧基，(较低)烷基氨基或(较低)烷基硫基，其中每个(较低)烷基，(较低)烷氧基，(较低)烷基氨基或(较低)烷基硫基基团可以包含1或2个从氨基，羧基，卤素和无毒药学可接受的酸盐加成物，生理可水解酯和溶剂化物中选择的取代基。其中R.sup.1为氢的化合物是强效的抗菌剂。本发明还涉及它们的制备方法。
• New cephem compounds useful for treating infectious diseases in human
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04546101A1

  公开（公告）日：1985-10-08

  The invention relates to cephem compounds of high antimicrobial activity of the formula: ##STR1## wherein R.sup.1 is amino or acylamino, R.sup.2 is lower alkyl, and Y is CH or N.

  本发明涉及高抗微生物活性的头孢菌素化合物，其化学式为：##STR1## 其中R.sup.1为氨基或酰胺基，R.sup.2为低碳基，Y为CH或N。