(5E)-2-疏基-5-(3-甲基亚苄基)-1,3-噻唑-4(5H)-酮 | 127378-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (5E)-2-疏基-5-(3-甲基亚苄基)-1,3-噻唑-4(5H)-酮
• 中文别名: (5E)-5-[(3-甲基苯基)亚甲基]-2-硫代-4-四氢噻唑酮；(5E)-5-[(3-甲基苯基)亚甲基]-2-硫代-四氢噻唑-4-酮；(5E)-2-巯基-5-(3-甲基苄基)-1,3-噻唑-4(5H)-酮；(5E)-5-[(3-甲基苯基)亚甲基]-2-硫基亚甲基-1,3-四氢噻唑-4-酮；(5E)-5-(3-甲苄基亚甲基)-2-硫代-四氢噻唑-4-酮
• 英文名称: (Z)-5-(3'-methylbenzylidene)-2-thioxothiazolidin-4-one
• 英文别名: 5-(3-methyl-benzylidene)-2-thioxo-thiazolidin-4-one；5-(3-Methyl-benzyliden)-2-thioxo-thiazolidin-4-on；5-[(3-methylphenyl)methylene]-2-thioxo-4-thiazolidinone；(5Z)-5-(3-methylbenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one；(5Z)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS: 127378-26-1
• 化学式: C₁₁H₉NOS₂
• mdl: MFCD04969041
• 分子量: 235.331
• InChiKey: NTFGFSORFHWWPQ-TWGQIWQCSA-N

物化性质

• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934100090

反应信息

• 作为产物：
  描述：

  罗丹宁 、 3-甲基苯甲醛 在 sodium acetate 、 溶剂黄146 作用下， 反应 1.0h， 生成 (5E)-2-疏基-5-(3-甲基亚苄基)-1,3-噻唑-4(5H)-酮
  参考文献：
  名称：

  发现AF6 PDZ域的低分子量配体。

  摘要：

  DOI：

  10.1002/anie.200503965

文献信息

• CHARGE CONTROLLING AGENT AND TONER USING SAME
  申请人：Yasumura Masateru

  公开号：US20120315576A1

  公开（公告）日：2012-12-13

  The present invention provides a charge control agent containing, as an active substance(s), one or two or more rhodanine compounds represented by the following formula (1). where R1 represents a hydrogen atom, etc.; R2 represents a hydrogen atom, a linear or branched alkyl group having 1 to 8 carbon atoms which may have a substituent, a substituted or unsubstituted heterocyclic group, etc.; R3 to R7, which may be identical to or different from each other, represent a hydrogen atom, a linear or branched alkyl group having 1 to 10 carbon atoms which may have a substituent, a linear or branched alkyloxy group having 1 to 20 carbon atoms which may have a substituent, etc., and may be joined to each other to form a ring; and V, W, X, Y and Z represent a carbon atom or a nitrogen atom, and 0 to 3 of any of V, W, X, Y and Z are nitrogen atoms which do not have the substituents of R3 to R7.

  本发明提供了一种包含以下式（1）所表示的一种或两种或更多罗丹宁化合物作为活性物质的电荷控制剂。其中R1代表氢原子等；R2代表氢原子、具有1至8个碳原子的线性或支链烷基基团，该基团可能具有取代基，取代或未取代的杂环基团等；R3至R7（它们可以相同也可以不同）代表氢原子、具有1至10个碳原子的线性或支链烷基基团，该基团可能具有取代基，具有1至20个碳原子的线性或支链烷氧基基团，该基团可能具有取代基等，并且它们可以相互连接形成环；V、W、X、Y和Z代表碳原子或氮原子，V、W、X、Y和Z中的任意0至3个是不具有R3至R7的取代基的氮原子。
• Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease
  申请人：ELI LILLY AND COMPANY

  公开号：EP0587377A2

  公开（公告）日：1994-03-16

  Provided are methods for treating hyperglycemia and Alzheimer's disease utilizing certain rhodanine derivatives. Certain of the rhodanine derivatives utilized in the instant methods are novel and, accordingly, such compounds, process for preparing same and pharmaceutical formulations thereof, are also provided.

  本发明提供了利用某些罗丹宁衍生物治疗高血糖和阿尔茨海默病的方法。在本方法中使用的某些罗丹宁衍生物是新颖的，因此还提供了此类化合物、其制备工艺和药物制剂。
• Compounds useful as hypoglycemic agents and for treating Alzheimer's disease
  申请人：ELI LILLY AND COMPANY

  公开号：EP0915090A1

  公开（公告）日：1999-05-12

  Provided are methods for treating hyperglycemia and Alzheimer's disease utilizing certain rhodanine derivatives. Certain of the rhodanine derivatives utilized in the instant methods are novel and, accordingly, such compounds, process for preparing same and pharmaceutical formulations thereof, are also provided.

  本发明提供了利用某些罗丹宁衍生物治疗高血糖和阿尔茨海默病的方法。在本方法中使用的某些罗丹宁衍生物是新颖的，因此还提供了此类化合物、其制备工艺和药物制剂。
• Selective small molecule inhibitors of the potential breast cancer marker, human arylamine N-acetyltransferase 1, and its murine homologue, mouse arylamine N-acetyltransferase 2
  作者：Angela J. Russell、Isaac M. Westwood、Matthew H.J. Crawford、James Robinson、Akane Kawamura、Christina Redfield、Nicola Laurieri、Edward D. Lowe、Stephen G. Davies、Edith Sim

  DOI：10.1016/j.bmc.2008.11.032

  日期：2009.1

  The identification, synthesis and evaluation of a series of rhodanine and thiazolidin-2,4-dione derivatives as selective inhibitors of human arylamine N-acetyltransferase 1 and mouse arylamine N-acetyltransferase 2 is described. The most potent inhibitors identified have submicromolar activity and inhibit both the recombinant proteins and human NAT1 in ZR-75 cell lysates in a competitive manner. H-1 NMR studies on purified mouse Nat2 demonstrate that the inhibitors bind within the putative active site of the enzyme. (C) 2008 Elsevier Ltd. All rights reserved.
• PDZ-Domain Modulators
  申请人：Joshi Mangesh

  公开号：US20090204336A1

  公开（公告）日：2009-08-13

  The invention relates to compounds which bind to the PDZ domains of proteins with PDZ domains, the uses of such compounds and screening methods for identification of such compounds.