2-ethyl-4-methyl-1,2,4-thiadiazolidine-3,5-dione | 92736-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-ethyl-4-methyl-1,2,4-thiadiazolidine-3,5-dione
• CAS: 92736-48-6
• 化学式: C₅H₈N₂O₂S
• 分子量: 160.197
• InChiKey: SGOLRZJAANHLDV-UHFFFAOYSA-N

物化性质

• 沸点：
  110-115 °C(Press: 0.2 Torr)
• 密度：
  1.325±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  65.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5,5-Dichloro-2-ethyl-4-methyl-[1,2,4]thiadiazolidin-3-one 以 水 为溶剂， 反应 0.17h， 生成 2-ethyl-4-methyl-1,2,4-thiadiazolidine-3,5-dione
  参考文献：
  名称：

  Slomczynska, Urszula; Barany, George, Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 241 - 246

  摘要：

  DOI：

文献信息

• Small Molecule Inhibitors of Regulators of G Protein Signaling (RGS) Proteins
  作者：Emma M. Turner、Levi L. Blazer、Richard R. Neubig、Stephen M. Husbands

  DOI：10.1021/ml200263y

  日期：2012.2.9

  Recently, regulators of G protein signaling (RGS) proteins have emerged as potential therapeutic targets since they provide an alternative method of modulating the activity of G protein-coupled receptors, the target of so many drugs. Inhibitors of RGS proteins must block a protein protein interaction (RGS-G alpha) but also be cell and, depending on the therapeutic target, blood brain barrier permeable. A lead compound (la) was identified as an inhibitor of RGS4 in a screening assay, and this has now been optimized for activity, selectivity, and solubility. The newly developed ligands (11b and 13) display substantial selectivity over the closely related RGS8 protein, lack the off-target calcium mobilization activity of the lead la, and have excellent aqueous solubility. They are currently being evaluated in vivo in rodent models of depression.
• SLOMCZYNSKA, U.;BARANY, G., J. HETEROCYCL. CHEM., 1984, 21, N 1, 241-246
  作者：SLOMCZYNSKA, U.、BARANY, G.

  DOI：——

  日期：——