2-苯氨基噻唑-4-酮 | 17823-27-7

• 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: 2-苯氨基噻唑-4-酮
• 英文名称: 2-phenylaminothiazol-4-one
• 英文别名: 2-(phenylamino)thiazol-4(5H)-one；2-phenylamino-1,3-thiazol-4(5H)-one；2-Phenylamino-4-thiazolinon；2-Phenylamino-thiazol-4-one；2-phenylimino-1,3-thiazolidin-4-one
• CAS: 17823-27-7
• 化学式: C₉H₈N₂OS
• mdl: MFCD00459717
• 分子量: 192.241
• InChiKey: IYGBTPGRKGQPLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  2-苯氨基噻唑-4-酮 在 盐酸 作用下， 生成 3-苯基-1,3-噻唑烷-2,4-二酮
  参考文献：
  名称：

  Langlet, 1895, p. 76

  摘要：

  DOI：
• 作为产物：
  描述：

  2-亚氨基-3-苯基-噻唑烷-4-酮 生成 2-苯氨基噻唑-4-酮
  参考文献：
  名称：

  Wheeler; Johnson, American Chemical Journal, 1902, vol. 28, p. 124

  摘要：

  DOI：

文献信息

• Use of thiazole derivatives and analogues in disorders caused by free fatty acids
  申请人：Westman Jacob

  公开号：US20090136472A1

  公开（公告）日：2009-05-28

  There is provided a use of a compound of formula I, wherein X, T, Y, W, A 1 , A 2 , R 1 , R 5 and R 6 have meanings given in the description, for the manufacture of a medicament for the treatment of a disorder or condition caused by, linked to, or contributed to by, free fatty acids, such as hyperinsulinemia and associated conditions, including type 2 diabetes and the like.

  提供了一种公式I的化合物的用途，其中X、T、Y、W、A1、A2、R1、R5和R6的含义如描述中所述，用于制造一种药物，用于治疗由自由脂肪酸引起、与之相关联或由此导致的疾病或状况，例如高胰岛素血症及其相关病症，包括2型糖尿病等。
• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• Behaviour of the hetero-ring in substituted 2-phenylimino-4-thiazolidinones towards the action of organomagnesium compounds
  作者：A. Mustafa、W. Asker、A.F.A.M. Shalaby、A.H. Harhash、R. Daguer

  DOI：10.1016/s0040-4020(01)98392-9

  日期：——

  Treatment of 5-arylidene derivatives of 2-phenylimino-4-thiazolidinones with Grignard reagents does not open the hetero-ring, the double bond of the lateral chain, the CC bond and the CN bond of Ic, enter into reaction, yielding colourless products, believed to have structure III. On the other hand, 5-benzylidene-3-phenyl-2-phenylimino-4-thiazolidinone (Id) on treatment with Ph Mg Br undergoes addition

  用格氏试剂处理2-苯基亚氨基-4-噻唑啉酮的5-亚芳基衍生物不能打开杂环，侧链的双键，Ic的CC键和CN键进入反应，产生无色产物，据信具有结构III。另一方面，用Ph Mg Br处理的5-亚苄基-3-苯基-2-苯基亚氨基-4-噻唑烷酮（Id）在侧链的CC键上形成5-二苯基甲基-3 -苯基-2-苯基亚氨基-4-噻唑烷酮（IIc）。
• Design, Synthesis, Cytoselective Toxicity, Structure–Activity Relationships, and Pharmacophore of Thiazolidinone Derivatives Targeting Drug-Resistant Lung Cancer Cells
  作者：Hongyu Zhou、Shuhong Wu、Shumei Zhai、Aifeng Liu、Ying Sun、Rongshi Li、Ying Zhang、Sean Ekins、Peter W. Swaan、Bingliang Fang、Bin Zhang、Bing Yan

  DOI：10.1021/jm7012024

  日期：2008.3.13

  identified from 372 thiazolidinone analogues by applying iterative library approaches. These compounds selectively killed both non-small cell lung cancer cell line H460 and its paclitaxel-resistant variant H460 taxR at an IC 50 between 0.21 and 2.93 microM while showing much less toxicity to normal human fibroblasts at concentrations up to 195 microM. Structure-activity relationship studies revealed that

  通过应用迭代文库方法，已从372噻唑烷酮类似物中鉴定出十种细胞选择性化合物。这些化合物在0.250和2.93 microM之间的IC 50选择性杀死了非小细胞肺癌细胞系H460及其抗紫杉醇的变体H460 taxR，同时在高达195 microM的浓度下对正常人成纤维细胞的毒性大大降低。结构-活性关系研究表明：（1）4-噻唑烷酮环（图1中的环B）上的氮原子不能被取代；（2）环A上的多个取代在各个位置都可以容忍；（3）取代环C上的C 1 -C 4基团限于-NMe 2基团。来源于活性分子的药效基团表明，两个氢键受体和三个疏水区是共同的特征。
• THIAZOLIDINONE DERIVATIVE
  申请人：Irie Takayuki

  公开号：US20110190299A1

  公开（公告）日：2011-08-04

  An object of the present invention is to provide thiazolidinone derivatives. More specifically, an object of the present invention is to provide novel compounds having a CDC7 inhibitory action. The present invention provides thiazolidinone derivatives represented by the formula (I) The compounds of the present invention inhibit the CDC7 protein kinase activity, and suppress cell proliferation.

  本发明的目的是提供噻唑烷酮衍生物。更具体地，本发明的目的是提供具有CDC7抑制作用的新化合物。本发明提供由式(I)表示的噻唑烷酮衍生物。本发明的化合物抑制CDC7蛋白激酶活性，并抑制细胞增殖。