2-Phenylvinylsulfonsaeure-methylester | 73300-78-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Phenylvinylsulfonsaeure-methylester
• 英文别名: methyl styrenesulfonate；2t-phenyl-ethenesulfonic acid methyl ester；2t-Phenyl-aethensulfonsaeure-methylester；trans-2-Phenyl-aethen-1-sulfonsaeure-methylester；trans-ω-Styrolsulfonsaeure-methylester；trans-2-Phenyl-aethensulfonsaeuremethylester；methyl (E)-2-phenylethenesulfonate
• CAS: 73300-78-4
• 化学式: C₉H₁₀O₃S
• 分子量: 198.243
• InChiKey: FSMDHYUPDKNFEI-BQYQJAHWSA-N

物化性质

• 熔点：
  67 °C
• 沸点：
  344.5±25.0 °C(Predicted)
• 密度：
  1.256±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲醛 、 Phosphonomethansulfonsaeure-trimethylester 生成 2-Phenylvinylsulfonsaeure-methylester
  参考文献：
  名称：

  Fild, Manfred; Rieck, Hans-Peter, Chemische Berichte, 1980, vol. 113, # 1, p. 142 - 151

  摘要：

  DOI：

文献信息

• JAK INHIBITOR
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2108642A1

  公开（公告）日：2009-10-14

  A JAK inhibitor comprising, as an active ingredient, a nitrogen-containing heterocyclic compound represented by formula (I) wherein W represents a nitrogen atom or -CH-; X represents -C (=O) - or -CHR4- (wherein R4 represents a hydrogen atom, or the like); R1 represents the formula described below [wherein Q1 represents-CR8-(wherein R8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); Q2 represents -NR15- (wherein R15 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); and R5 and R6 may be the same or different and each represents a hydrogen atom, halogen, carboxy, substituted or unsubstituted lower alkyl, or the like], or the like; and R2 and R3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof.

  一种JAK抑制剂，其作为活性成分的是由式(I)表示的含氮杂环化合物 其中W代表氮原子或-CH-; X代表-C(=O)-或-CHR4-(其中R4代表氢原子或类似物); R1代表下述式[其中Q1代表-CR8-(其中R8代表氢原子、取代或未取代的较低烷基或类似物); Q2代表-NR15-(其中R15代表氢原子、取代或未取代的较低烷基或类似物);而R5和R6可以相同也可以不同，每个代表氢原子、卤素、羧基、取代或未取代的较低烷基或类似物，或类似物;而 R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的较低烷基或类似物}或其药学上可接受的盐。
• Nitrogen-containing heterocyclic compound
  申请人：Murakata Chikara

  公开号：US20090054407A1

  公开（公告）日：2009-02-26

  The present invention provides a nitrogen-containing heterocyclic compound represented by formula (I): wherein W represents a nitrogen atom or —CH—; X represents —C(═O)— or —CHR 4 — (wherein R 4 represents a hydrogen atom, or the like); R 1 represents a group represented by the following formula: [wherein Q 1 represents a nitrogen atom or —CR 8 — (wherein R 8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like). Q 2 represents —NR 15 — (wherein R 15 represents a hydrogen atom, or the like) and R 5 and R 6 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like]; and R 2 and R 3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof, and the like.

  本发明提供了一种含氮杂环化合物，其由式(I)表示：其中W代表氮原子或—CH—；X代表—C(═O)—或—CHR4—（其中R4代表氢原子或类似物）；R1代表由以下式表示的基团：[其中Q1代表氮原子或—CR8—（其中R8代表氢原子、取代或未取代的低级烷基或类似物）。Q2代表—NR15—（其中R15代表氢原子或类似物），R5和R6可以相同也可以不同，每个代表氢原子、取代或未取代的低级烷基或类似物]；R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的低级烷基或类似物}或其药学上可接受的盐等。
• Reaction of bases with benzyl dibromomethyl sulfone and with benzhydryl dihalomethyl sulfone
  作者：Frederick G. Bordwell、Earle B. Hoyt、Bruce B. Jarvis、Joel M. Williams

  DOI：10.1021/jo01269a070

  日期：1968.5
• Active-site-directed modification of subtilisin
  作者：Ziyang Zhong、Jeffrey A. Bibbs、Wei Yuan、Chi Huey Wong

  DOI：10.1021/ja00006a052

  日期：1991.3

  This paper describes the development of several competitive inhibitors and mechanism-based inactivators of subtilisin BPN'. Various methyl arylalkanesulfonates were prepared and shown to be either competitive inhibitors or selective methylating reagents for the epsilon-2-N of the active-site His. Styrene sulfonyl chloride was shown to be a good covalent inactivator and benzyl N-(N-Boc-L-phenylalanyl)-L-aziridine-2-carboxylate was a strong competitive inhibitor. The second-order rate constant of inactivation and the K(i) of the enzyme reacting with the methylating reagents and other inactivators were determined. The methylated enzyme was purified to homogeneity and the kinetic constants for the enzyme-catalyzed ester and amide hydrolyses were determined. It was established that the methylated enzyme lost most of the amidase activity while the esterase activity was still significant and useful for peptide synthesis via aminolysis. A mechanism involving ring flipping of the active-site imidazole, first proposed for methylchymotrypsin activity, was also proposed to explain methylsubtilisin-catalyzed reactions.
• Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof
  申请人：TOSOH CORPORATION

  公开号：EP1829857B1

  公开（公告）日：2009-11-04