5-(2-hydroxy-ethyl)-3,4-dimethyl-thiazolium | 54379-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2-hydroxy-ethyl)-3,4-dimethyl-thiazolium
• 英文别名: Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-；2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol
• CAS: 54379-31-6
• 化学式: C₇H₁₂NOS
• 分子量: 158.244
• InChiKey: VHDCMFVSARZDNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2-hydroxy-ethyl)-3,4-dimethyl-thiazolium 在 水 作用下， 生成 (Z)-2-(Formyl-methyl-amino)-5-hydroxy-pent-2-ene-3-thiol anion
  参考文献：
  名称：

  Barrabass, Susanne; Heiber-Langer, Irmgard; Knoche, Wilhelm, Journal of the Chemical Society. Perkin transactions II, 1994, # 1, p. 131 - 134

  摘要：

  DOI：
• 作为产物：
  描述：

  (Z)-2-(Formyl-methyl-amino)-5-hydroxy-pent-2-ene-3-thiol anion 在 氢气 作用下， 生成 5-(2-hydroxy-ethyl)-3,4-dimethyl-thiazolium 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Barrabass, Susanne; Heiber-Langer, Irmgard; Knoche, Wilhelm, Journal of the Chemical Society. Perkin transactions II, 1994, # 1, p. 131 - 134

  摘要：

  DOI：

文献信息

• Novel Compounds As Casein Kinase Inhibitors
  申请人：Subramanyam Chakrapani

  公开号：US20110098272A1

  公开（公告）日：2011-04-28

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物及其药用可接受盐已被披露，其中所述化合物具有规范中定义的Formula I结构。相应的药物组合物、治疗方法、合成方法和中间体也已被披露。
• NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS
  申请人：BUTLER TODD W.

  公开号：US20120157440A1

  公开（公告）日：2012-06-21

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: and pharmaceutically acceptable salts thereof, wherein X, Y, A, R 4 , n, and R 7 are as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  本发明揭示了化合物及其药用可接受的盐，其中该化合物具有Formula I的结构：以及其药用可接受的盐，其中X、Y、A、R4、n和R7如规范中定义。本发明还揭示了相应的药物组合物、治疗方法、合成方法和中间体。
• Structural studies of the interaction between indole derivatives and biologically important aromatic compounds. XIII. Ring stacking interaction on the thiamin-tryptophan systems
  作者：Toshimasa Ishida、Miyuki Matsui、Masatoshi Inoue、Hiroshi Hirano、Mayumi Yamashita、Kazuaki Sugiyama、Makiko Sugiura、Kenichi Tomita

  DOI：10.1021/ja00297a041

  日期：1985.5

  Etude par diffraction RX, spectre UV et RMN de 3 derives indole propionate-3 de thiamine, iodure de [indolylpropionyloxy-2 ethyl]-5 dimethyl-3,4 thiazolium et amino-4[indolylpropionylaminomethyl]-5 methyl-2 pyrimidine

  练习曲par衍射RX，Spectre UV et RMN de 3衍生吲哚丙酸酯-3脱硫胺，碘脱[吲哚基丙酰氧基-2乙基]-5二甲基-3,4噻唑鎓和氨基-4[吲哚基丙酰氨基甲基]-5甲基-2嘧啶
• NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US20170327449A1

  公开（公告）日：2017-11-16

  Disclosed is a process for preparing a product of formula I: wherein the reaction is catalyzed both by thiamine or a thiamine salt and by ascorbic acid in a form which is free or salified or an organic acid salt of an alkaline metal, preferably sodium acetate, potassium tartrate, sodium succinate, or a reductone, preferably 2-hydroxypropanedial or 2,3-dihydroxycyclopent-2-ene-1-one in an organic solvent.

  公开了一种制备式I产品的过程：其中反应既由硫胺素或硫胺素盐催化，又由抗坏血酸以自由或盐化形式或碱金属有机酸盐，优选为乙酸钠、酒石酸钾、琥珀酸钠或还原酮，优选为2-羟基丙二醛或2,3-二羟基环戊-2-烯-1-酮，在有机溶剂中。
• SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS
  申请人：Hoover Dennis J.

  公开号：US20080090834A1

  公开（公告）日：2008-04-17

  The invention pertains to heteroaromatic compounds of the formula I, as defined herein, that serve as effective phosphodiesterase (PDE) inhibitors. In particular, the invention relates to said compounds which are selective inhibitors of PDE10. The invention also relates to pharmaceutical compositions comprising said compounds; and the use of said compounds in a method for treating certain central nervous system (CNS) or other disorders.

  本发明涉及公式I所定义的杂环芳香化合物，其作为有效的磷酸二酯酶（PDE）抑制剂。特别地，本发明涉及选择性抑制PDE10的该类化合物。本发明还涉及包含该类化合物的药物组合物；以及使用该类化合物治疗某些中枢神经系统（CNS）或其他疾病的方法。