tert-Butyl 3-(2,4-Dioxothiazolidin-3-yl)propanoate | 883904-99-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: tert-Butyl 3-(2,4-Dioxothiazolidin-3-yl)propanoate
• 英文别名: Tert-butyl 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoate；tert-butyl 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoate
• CAS: 883904-99-2
• 化学式: C₁₀H₁₅NO₄S
• 分子量: 245.299
• InChiKey: ZIQLUGSNHGNSQC-UHFFFAOYSA-N

物化性质

• 沸点：
  344.4±44.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  89
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-Butyl 3-(2,4-Dioxothiazolidin-3-yl)propanoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-(2,4-二氧代-噻唑啉-3-基)-丙酸
  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
• 作为产物：
  描述：

  2,4-噻唑烷二酮 、 3-溴丙酸叔丁酯 在 氢氧化钾 、 potassium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 tert-Butyl 3-(2,4-Dioxothiazolidin-3-yl)propanoate
  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

• [EN] PREPARATION AND USES OF NOVEL RHODANINE DERIVATIVES<br/>[FR] PREPARATION ET UTILISATIONS DE NOUVEAUX DERIVES DE RHODANINE
  申请人：AUSPEX PHARMACEUTICALS INC

  公开号：WO2006041921A2

  公开（公告）日：2006-04-20

  Processes for the preparation of compounds of Formulae 1 and 2 are described. These compounds can be used as PPAR modulators and for the treatment and/or management of cancer, inflammation, cellular differentiation and proliferation, wound healing, metabolism of lipids and carbohydrates, obesity, diabetes, and energy homoeostasis.
• 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.