5-[5-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid | 606970-90-5

• 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: 5-[5-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid
• CAS: 606970-90-5
• 化学式: C₁₇H₁₁NO₇S₂
• 分子量: 405.409
• InChiKey: WCJJXNFXPPCVBR-MLPAPPSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  186
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid 、 3-羧甲基绕丹宁 在 piperazinium diacetate 作用下， 以 甲苯 为溶剂， 生成 5-[5-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid
  参考文献：
  名称：

  Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphatase

  摘要：

  We report here a class of thiazolidine-2,4-diones and 2-thioxothiazolidin-4-ones as potent inhibitors of the lymphoid specific tyrosine phosphatase (Lyp) identified from high throughput screens. Chemical modi. cation by incorporating the known phosphotyrosine (pTyr) mimics led to the discovery of a salicylate-based inhibitor with submicromolar potency. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.079

文献信息

• Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphatase
  作者：Yuli Xie、Yidong Liu、Gangli Gong、Alison Rinderspacher、Shi-Xian Deng、Deborah H. Smith、Udo Toebben、Effie Tzilianos、Lars Branden、Dušica Vidović、Caty Chung、Stephan Schürer、Lutz Tautz、Donald W. Landry

  DOI：10.1016/j.bmcl.2008.03.079

  日期：2008.5

  We report here a class of thiazolidine-2,4-diones and 2-thioxothiazolidin-4-ones as potent inhibitors of the lymphoid specific tyrosine phosphatase (Lyp) identified from high throughput screens. Chemical modi. cation by incorporating the known phosphotyrosine (pTyr) mimics led to the discovery of a salicylate-based inhibitor with submicromolar potency. (c) 2008 Elsevier Ltd. All rights reserved.