4-Ethylsulfanyl-1-methylpyridin-1-ium

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-Ethylsulfanyl-1-methylpyridin-1-ium
• 化学式: C8H12NS+
• 分子量: 154.25
• InChiKey: GVNXCBPUWHZQLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  29.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Cephalosporin derivatives and bactericides containing the same
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0209751A2

  公开（公告）日：1987-01-28

  New cephalosporin compounds represented by the following formula (I) and pharmaceutically acceptable salts thereof are provided, which have a broad bactericidal spectrum against various pathogenic bacteria including Pseudomonas aeruginosa and are useful as bactericidal remedies for pathogenic diseases of human and animals. wherein A represent an alkanoyloxy group having 2-5 caroo atoms; a carbamoyloxy group; an azido group; or an unsut stituted or substituted pyridylthio group of a formula (1-1): (where n is 0 or an integer of 3-5; R1 and R2 may be same or different and each represent a hydrogen atom, a halogen atom, a carboxyl gorup or an optionally halogen-substituted lower alkyl group having 1-5 carbon atoms; or an unsubstituted or substituted pyridiniumthio group of a formula (I-2): (where n, R' and R2 have the same meaning as above; R3 represents linear or branched alkyl group having 1-5 carbon atoms; a halogen-substituted alkyl group, a cyclopropyl group, a cyclopropylmethyl group, an alkenyl group, an ox- ygen atom or a group of-(CH2)m-B;(m is an integer of 0-3; and B represents a hydroxyl group, an alkoxy group, an amino group, an alkyl-substituted amino group, a carboxyl group a carbamoyl group, a sulfonic acid group, a sulfonic acid amide group, a hydroxamic acid group, a cyano group, a thiol group, an alkylthio group, a methanesulfonylaminocarbonyl group or an acetamidosulfonyl group)]; or an unsubstituted or substituted pyridinium group of a formula (1-3): (where n has the same meaning as above; R4 and R5 may be same or different and each represent a hydrogen atom, a linear or branched aklyl group having 1-5 carbon atoms, a carboxyl group, a carbamoyl group, a sulfonic acid group, a sulfonic acid amide group, a linear or branched alkylthio group having 1-5 carbon atoms, a halogen-substituted alkylthio group, a cycloalkanothio group, a cycloalkanomethylthio group, a carboxyalkylthio group, a carbamoylalkylthio group, an alkoxyalkylthio group or an alkyl-substituted aminoalkylthio group); or a 5- or 6- membered heterocyclicthio or bicycloheterocyclicthio group of a formula (1-4): (where Het represents an optionally substituted thiazole, isothiazole, 1,2,3-thiadiazole, 1,3,4-thiadiazole, 1,3,4-triazole, 1,2,3,4-tetrazole, pyrimidine, 1,2,4-triazine, benzothiazole, benzimidazole, benzoxazole, 1,3,4-triazaindolidine or 2,3-dihydro-1H-idolidinium group).

  本发明提供了由下式(I)代表的新型头孢菌素化合物及其药学上可接受的盐类，它们对包括铜绿假单胞菌在内的各种病原菌具有广泛的杀菌谱，可作为人类和动物病原性疾病的杀菌剂。 其中 A 代表具有 2-5 个碳原子的烷酰氧基；氨基甲酰氧基；叠氮基；或式（1-1）的未取代或取代的吡啶硫基： (其中 n 为 0 或 3-5 的整数；R1 和 R2 可以相同或不同，各自代表氢原子、卤素原子、羧基或可选的卤素取代的具有 1-5 个碳原子的低级烷基；或式（I-2）的未取代或取代的吡啶硫基： (其中 n、R' 和 R2 的含义同上；R3 代表具有 1-5 个碳原子的直链或支链烷基；卤素取代的烷基、环丙基、环丙基甲基、烯基、氧原子或(CH2)m-B 的基团；(m 为 0-3 的整数；B代表羟基、烷氧基、氨基、烷基取代的氨基、羧基、氨基甲酰基、磺酸基、磺酸酰胺基、羟肟酸基、氰基、硫醇基、烷硫基、甲磺酰氨基羰基或乙酰胺磺酰基）]；或式（1-3）的未取代或取代的吡啶鎓基团： (其中 n 的含义同上；R4和R5可以相同或不同，各自代表氢原子、具有1-5个碳原子的直链或支链烷基、羧基、氨基甲酰基、磺酸基、磺酸酰胺基、具有1-5个碳原子的直链或支链烷硫基、卤素取代的烷硫基、环烷硫基、环烷甲基硫基、羧基烷硫基、氨基甲酰基烷硫基、烷氧基烷硫基或烷基取代的氨基烷硫基）；或式（1-4）的 5 或 6 成员杂环硫基或双环杂环硫基： (其中 Het 代表任选取代的噻唑、异噻唑、1,2,3-噻二唑、1,3,4-噻二唑、1,3,4-三唑、1,2,3,4-四唑、嘧啶、1,2,4-三嗪、苯并噻唑、苯并咪唑、苯并恶唑、1,3,4-三氮吲哚啶或 2,3-二氢-1H-idolidinium 基团)。
• Novel cephalosporin compounds and antibacterial agents
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0289002A2

  公开（公告）日：1988-11-02

  Novel cephalosporin compounds of the formula (I): wherein R¹ and R² may be the same or different and are a hydrogen atom or a lower alkyl group of 1 - 5 carbon atoms and A is a hydrogen atom or a nucleophilic compound residue or pharmacologically acceptable salts thereof have excellent antibacterial activity against Gram positive and Gram negative microorganisms.

  式(I)的新型头孢菌素化合物： 其中 R¹ 和 R² 可以相同或不同，并且是氢原子或 1 - 5 个碳原子的低级烷基，A 是氢原子或亲核化合物残基或其药理学上可接受的盐，对革兰氏阳性和革兰氏阴性微生物具有极佳的抗菌活性。
• Cephalosporin compounds and antibacterial agents
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0315997A2

  公开（公告）日：1989-05-17

  This invention provides new cephalosporin compounds represented by the following general formula: [wherein R¹ and R² are same or different hydrogen atom or a lower alkyl group of 1 to 5 carbon atoms; R³ is a lower alkyl group which may optionally be substituted with a halogen atom (or atoms), an alkenyl group, or a cycloalkylmethyl group of 3 to 6 carbon atoms; and A is hydrogen atom or residue of a nucleophilic compound] and pharmacologically acceptable salts thereof. These novel compounds have broad-spectrum antibacterial activity against Gram-positive and -negative bacteria including Pseudomonas aeruginosa, as well as against a great variety of β-lactamase-producing strains.

  本发明提供了由以下通式表示的新的头孢菌素化合物： [其中 R¹ 和 R² 是相同或不同的氢原子或 1 至 5 个碳原子的低级烷基；R³ 是低级烷基，可任选被卤原子（或原子）、烯基或 3 至 6 个碳原子的环烷基甲基取代；A 是氢原子或亲核化合物的残基]及其药理学上可接受的盐。这些新型化合物对包括铜绿假单胞菌在内的革兰氏阳性和阴性细菌以及各种产β-内酰胺酶的菌株具有广谱抗菌活性。
• US4758557A
  申请人：——

  公开号：US4758557A

  公开（公告）日：1988-07-19
• US4971961A
  申请人：——

  公开号：US4971961A

  公开（公告）日：1990-11-20