6.8-Difluoro-2-mercapto-7-(4-methyl-4H-1,2,4-triazole-3-ylthio)-4-oxo-4H-1-benzothiopyran | 142265-30-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6.8-Difluoro-2-mercapto-7-(4-methyl-4H-1,2,4-triazole-3-ylthio)-4-oxo-4H-1-benzothiopyran
• 英文别名: 6,8-Difluoro-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-sulfanylthiochromen-4-one
• CAS: 142265-30-3
• 化学式: C₁₂H₇F₂N₃OS₃
• 分子量: 343.402
• InChiKey: BMMXUWXNNYGXSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  99.4
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Novel cephem compounds, their preparation processes and antibacterial agents
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0481441A2

  公开（公告）日：1992-04-22

  Novel cephem compounds represented by a formula [I] and pharmacologically admissible salts or capable of physiologically hydrolyzable nontoxic esters thereof are disclosed. [wherein R1 indicates a straight-chain or branched lower alkyl group, which may be substituted by carboxyl group which may be protected, trityl group, hydrogen atom or fluorine-substituted lower alkyl group, R2 indicates a hydrogen atom, metal atom, protective group for carboxyl group or ester residue producible hydrolyzable ester in vivo, R3, R4, R5 and R6, which may be identical or different, indicate hydrogen atoms, halogen atoms, straight-chain or branched lower alkyl groups, which may be substituted, mercapto groups, which may be substituted, lower alkylamino groups, hydroxyl groups, which may be protected, lower alkoxy groups, lower alkanoyl groups, lower alkoxycarbonyl groups, or lower alkylenedioxy group, which may be substituted, being maybe formed with R3 and R4, R7 indicates a hydrogen atom, cyano group, halogen atom or COOR8 (R8 is hydrogen or lower alkyl group), R9 indicates an amino group, which may be protected, Z indicates N or CH, and n indicates 0 or 1]. Preparation processes for them and antibacterial agents containing them as effective ingredients are also claimed.

  本发明公开了由式[I]表示的新型头孢菌素化合物及其药理上可接受的盐或生理上可水解的无毒酯。 [其中 R1 表示直链或支链低级烷基，可被羧基（可被保护的羧基）、三烷基、氢原子或氟取代的低级烷基取代；R2 表示氢原子、金属原子、羧基的保护基团或可在体内产生水解酯的酯残基；R3、R4、R5 和 R6 表示氢原子、卤素原子、直链或支链低级烷基（可被取代）、巯基（可被保护的巯基）、氢原子、金属原子、羧基的保护基团或可在体内产生水解酯的酯残基；R3、R4、R5 和 R6 可以相同或不同，表示氢原子、卤素原子、直链或支链低级烷基、R7 表示氢原子、氰基、卤素原子或 COOR8（R8 为氢或低级烷基），R9 表示氨基（可被保护），Z 表示 N 或 CH，n 表示 0 或 1]。 此外，还要求提供它们的制备工艺和含有它们作为有效成分的抗菌剂。
• US5244892A
  申请人：——

  公开号：US5244892A

  公开（公告）日：1993-09-14