allyl 2-(tritylaminothiazol-4-yl)-2-[2-(diphenylmethoxycarbonyl)but-2-oxyimino] acetate | 158495-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: allyl 2-(tritylaminothiazol-4-yl)-2-[2-(diphenylmethoxycarbonyl)but-2-oxyimino] acetate
• 英文别名: Benzhydryl 2-methyl-2-[[2-oxo-2-prop-2-enoxy-1-[2-(tritylamino)-1,3-thiazol-4-yl]ethylidene]amino]oxybutanoate；benzhydryl 2-methyl-2-[[2-oxo-2-prop-2-enoxy-1-[2-(tritylamino)-1,3-thiazol-4-yl]ethylidene]amino]oxybutanoate
• CAS: 158495-93-3
• 化学式: C₄₅H₄₁N₃O₅S
• 分子量: 735.904
• InChiKey: LSWKUOWRAVSEBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  54
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-bromo-2-methylbutanoic acid benzhydryl ester 、 2-(2-triphenylmethylaminothiazol-4-yl)-2-hydroxyiminoacetic acid allyl ester 在 盐酸 、 potassium carbonate 作用下， 以 二甲基亚砜 、 乙酸乙酯 为溶剂， 生成 allyl 2-(tritylaminothiazol-4-yl)-2-[2-(diphenylmethoxycarbonyl)but-2-oxyimino] acetate
  参考文献：
  名称：

  Novel cephalosporin compounds

  摘要：

  本发明涉及新型头孢菌素化合物，其具有强大和广泛的抗菌活性的药用可接受的无毒盐、生理水解酯、水合物、溶剂合物和其异构体。本发明的化合物在头孢菌素核的3-位置具有(4-氨基-1-取代-烷基嘧啶-4-基)硫甲基基团，具体由以下式(I)表示：其中：R¹是氢原子或C₁₋₄烷基、C₂₋₄烯基、C₂₋₄炔基或-C(RA)(RB)COOH基团，其中RA和RB独立地是氢原子或C₁₋₄烷基，或者与它们所连接的碳原子一起形成C₃₋₇环烷基基团；R²是未取代或取代的氨基、C₁₋₄烷基或C₃₋₇环烷基基团；n是一个范围从2到7的整数。

  公开号：

  EP0604920A1

文献信息

• Cephalosporin compounds and processes for the preparation thereof
  申请人：LUCKY LTD.

  公开号：EP0582261A1

  公开（公告）日：1994-02-09

  The present invention relates to a cephalosporin compound including the pharmaceutically acceptable non-toxic salts, physiologically hydrolyzable esters, hydrates and solvates thereof of the formula(I) and its isomers: wherein: R¹ isa C₁₋₄ alkyl, C₃₋₄ alkenyl, C₃₋₄ alkynyl or -C(Ra)(Rb)-COOH wherein Ra and Rb are, independently of each other, a hydrogen or a C₁₋₄ alkyl group, respectively, or jointly form a C₃₋₇ cycloalkyl group together with the carbon atoms to which they are attached; R² isa hydrogen or an amino which may be substituted or unsubstituted, alkoxy or heterocyclic group which is linked with a nitrogen atom; R³ isa hydrogen or a C₁₋₄ alkyl, amino, aminomethyl, hydroxy, hydroxymethyl, carboxy or carboxymethyl group; R⁴ isa hydrogen or a C₁₋₄ alkyl, amino, hydroxy, hydroxyalkl, acetamide, carboxyalkyl or sulfonylethyl group; R⁵ isa hydrogen or a C₁₋₄ alkyl, amino, carboxy, carboxyalkyl or hydroxy group; and Q and T areindependently CH or N, provided that R² is an amino group when T is N.

  本发明涉及一种头孢菌素化合物，包括其药学上可接受的非毒性盐、生理水解酯、水合物和溶剂化合物，其分子式为(I)及其异构体：其中：R¹为C₁₋₄烷基、C₃₋₄烯基、C₃₋₄炔基或-C(Ra)(Rb)-COOH，其中Ra和Rb分别为氢或C₁₋₄烷基，或者共同形成与它们连接的碳原子一起的C₃₋₇环烷基；R²为氢或与氮原子连接的可取代或不可取代的氨基、烷氧基或杂环基团；R³为氢或C₁₋₄烷基、氨基、氨甲基、羟基、羟甲基、羧基或羧甲基基团；R⁴为氢或C₁₋₄烷基、氨基、羟基、羟基烷基、乙酰胺基、羧基烷基或磺酰乙基基团；R⁵为氢或C₁₋₄烷基、氨基、羧基、羧基烷基或羟基基团；Q和T独立地为CH或N，条件是当T为N时，R²为氨基团。
• Novel cephalosporin compounds
  申请人：LUCKY LTD.

  公开号：EP0604920A1

  公开（公告）日：1994-07-06

  The present invention relates to novel cephalosporin compounds, pharmaceutically acceptable non-toxic salts, physiologically hydrolyzable esters, hydrates and solvates and isomers thereof which possess potent and broad antibacterial activities. The compounds of the present invention have a (4-amino-1-substituted-alkapyrimidinium-4-yl)thiomethyl group in 3-position of the cephem nucleus and is specifically represented by the following formula(I): wherein: R¹ isa hydrogen atom or, a C₁₋₄ alkyl, C₂₋₄ alkenyl, C₂₋₄ alkynyl or -C(RA)(RB)COOH group wherein RA and RB are independently a hydrogen atom or a C₁₋₄ alkyl group, or form a C₃₋₇ cycloalkyl group together with the carbon atom to which they are attached; R² isan unsubstituted or substituted amino, C₁₋₄ alkyl or C₃₋₇ cycloalkyl group; and n isan integer ranging from 2 to 7.

  本发明涉及新型头孢菌素化合物，其具有强大和广泛的抗菌活性的药用可接受的无毒盐、生理水解酯、水合物、溶剂合物和其异构体。本发明的化合物在头孢菌素核的3-位置具有(4-氨基-1-取代-烷基嘧啶-4-基)硫甲基基团，具体由以下式(I)表示：其中：R¹是氢原子或C₁₋₄烷基、C₂₋₄烯基、C₂₋₄炔基或-C(RA)(RB)COOH基团，其中RA和RB独立地是氢原子或C₁₋₄烷基，或者与它们所连接的碳原子一起形成C₃₋₇环烷基基团；R²是未取代或取代的氨基、C₁₋₄烷基或C₃₋₇环烷基基团；n是一个范围从2到7的整数。