2,4-dibutyl-1,2,4-thiadiazolidine-3,5-dione | 7707-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,4-dibutyl-1,2,4-thiadiazolidine-3,5-dione
• 英文别名: 2,4-Dibutyl-<1,2,4>-thiadiazolidin-3,5-dion；2,4-di-n-butyl-1,2,4-thiadiazolidine-3,5-dione
• CAS: 7707-40-6
• 化学式: C₁₀H₁₈N₂O₂S
• 分子量: 230.331
• InChiKey: WXPYTMMRDMUNOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  N-butyl-carbonochloridimidic hypochlorous thioanhydride 在 水 作用下， 生成 2,4-dibutyl-1,2,4-thiadiazolidine-3,5-dione
  参考文献：
  名称：

  Ottmann,G.; Hooks,H., Angewandte Chemie, 1966, vol. 78, p. 681

  摘要：

  DOI：

文献信息

• SMALL MOLECULE INHIBITORS OF RGS PROTEINS
  申请人：Neubig Richard

  公开号：US20120277273A1

  公开（公告）日：2012-11-01

  The invention relates to compositions having RGS (regulator of G-protein Signaling) inhibiting activity, and methods of use thereof. In some embodiments, RGS-inhibiting compositions find use in research on or treatment of disease states (e.g., diabetes, epilepsy, neuropathic pain, depression and other diseases).

  该发明涉及具有RGS（G蛋白信号调节因子）抑制活性的组合物，以及其使用方法。在某些实施例中，具有RGS抑制活性的组合物可用于研究或治疗疾病状态（例如糖尿病、癫痫、神经痛、抑郁症和其他疾病）。
• 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.
• Tideglusib and Its Analogues As Inhibitors of <i>Staphylococcus aureus</i> SrtA
  作者：Teng Yang、Tao Zhang、Xiang-Na Guan、Ze Dong、Lefu Lan、Song Yang、Cai-Guang Yang

  DOI：10.1021/acs.jmedchem.0c00803

  日期：2020.8.13

  Sortase A (SrtA) anchors surface proteins to the cell wall envelope, and it has attracted increasing interesting as a potential antivirulence target. Several small-molecule inhibitors for SrtA have been developed, but target validation remains largely underexplored. Herein, we report a new class of SrtA inhibitors that supports antivirulence therapy through small-molecule targeting of SrtA. Tideglusib (TD), a drug candidate for myotonic dystrophy, was outstanding in high-throughput screening. A concise synthetic route quickly provided TD analogues, and the structure-activity relationships for SrtA inhibition have been established from those analogues. Several compounds largely retained the in vitro potency and exhibited a better solubility than TD. Additionally, TD attenuated virulence-related phenotypes in vitro and protected mice against lethal S. aureus USA300 bacteremia. Our study indicates that TD and its analogues could be new candidates as SrtA inhibitors with potential in the development of new antivirulence agents.
• US4183816A
  申请人：——

  公开号：US4183816A

  公开（公告）日：1980-01-15
• US8865750B2
  申请人：——

  公开号：US8865750B2

  公开（公告）日：2014-10-21