pyrrolidin-4-ylthioacetate | 102906-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: pyrrolidin-4-ylthioacetate
• 英文别名: 3-(S-acetylthio)pyrrolidine；1-(Pyrrolidin-3-ylsulfanyl)ethan-1-one；S-pyrrolidin-3-yl ethanethioate
• CAS: 102906-49-0
• 化学式: C₆H₁₁NOS
• 分子量: 145.225
• InChiKey: AFYIEXRJEABQPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Penem derivatives and antimicrobial agent containing the same
  申请人：Ishiguro Masaji

  公开号：US20050004092A1

  公开（公告）日：2005-01-06

  A penem derivative represented by the following formula (I): wherein R 1 represents a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted alkylthio group, a substituted or unsubstituted alkenylthio group, a substituted or unsubstituted aralkylthio group, a substituted or unsubstituted arylthio group, a substituted or unsubstituted heterocyclic group, a substituted or unsubstituted heterocyclic thio group, a substituted or unsubstituted acylthio group, a mercapto group or a hydrogen atom, and R 2 represents a hydrogen atom or a carboxyl-protecting group; or a pharmacologically acceptable salt thereof. The compound (I) exhibits strong antibacterial activities, and especially, shows strong activities against MRSA. It is therefore useful not only as a general antibacterial agent but also as an antibacterial agent for MRSA against which no general antibacterial agents are recognized to be-effective.

  以下是公式（I）所代表的一种青霉烷衍生物： 其中，R1代表取代或未取代的烷基、取代或未取代的烯基、取代或未取代的芳基烷基、取代或未取代的芳基、取代或未取代的烷基硫基、取代或未取代的烯基硫基、取代或未取代的芳基烷基硫基、取代或未取代的芳基硫基、取代或未取代的杂环基、取代或未取代的杂环硫基、取代或未取代的酰基硫基、巯基或氢原子，R2代表氢原子或羧酸保护基；或其药学上可接受的盐。该化合物（I）表现出强大的抗菌活性，特别是对MRSA表现出强大的活性。因此，它不仅有用作一般抗菌剂，还有用作抗MRSA的抗菌剂，对于这种细菌，一般的抗菌剂被认为无效。
• 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids
  申请人：Merck & Co., Inc.

  公开号：EP0160876A1

  公开（公告）日：1985-11-13

  Disclosed are 1-hetero-6-[1-hydroxyethyl)-2-SR8-1-carbadethiapen-2-em-3-COOR4 compounds having the structure: wherein R4 is, e.g., hydrogen, R8 is, e.g., alkyl and R9 is, e.g., halogen; the pharmaceutically acceptable salt and ester derivatives thereof and use as antibiotics. Also disclosed are processes for the preparation of such compounds and pharmaceutical compositions comprising such compounds.

  公开了具有以下结构的1-hetero-6-[1-羟乙基]-2-SR8-1-carbadethiapen-2-em-3-COOR4化合物：其中R4为氢等，R8为烷基等，R9为卤素等；其药学上可接受的盐和酯衍生物以及作为抗生素的用途。 还公开了制备此类化合物的工艺和包含此类化合物的药物组合物。
• 2(2-Cyclopropylpyrrolidin-4-ylthio)-carbapenem derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：EP0435320A1

  公开（公告）日：1991-07-03

  A compound of the formula: wherein R1 Is a hydrogen atom or a methyl group, each of R2 and R3 which may be the seme or different, is a hydrogen atom or a lower alkyl group, or R2 and R3 form together with the adjacent nitrogen atom a heterocyclic group selected from the group consisting of an aziridinyl group, an azetidinyl group, a pyrrolldinyl group, a piperidlno group, a piperazinyl group and a morphollno group, A Is a carbonyl group or a single bond, and n ls an integer of from 0 to 3; or a pharmacautically acceptable salt or ester thereof.

  式中的化合物 其中 R1 是氢原子或甲基，R2 和 R3 可以是相同的或不同的，各自是氢原子或低级烷基，或 R2 和 R3 与相邻的氮原子一起形成杂环基团，该杂环基团选自由氮丙啶基、氮杂环丁基、吡咯烷基、哌啶基、哌嗪基和吗啉基组成的组，A 是羰基或单键，n 是 0 至 3 的整数；或其药学上可接受的盐或酯。
• PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：EP0757051B1

  公开（公告）日：2003-10-29
• 6-[1-Hydroxyethyl]-2-SR8-1-methyl-1-carba-dethiapen-2-em-3-carboxylic acids
  申请人：Merck & Co., Inc.

  公开号：EP0161541B1

  公开（公告）日：1990-12-12