3,5-dimethylpyrazole-4-sulfonohydrazide | 80466-94-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3,5-dimethylpyrazole-4-sulfonohydrazide
• 英文别名: 3,5-dimethyl-1H-pyrazole-4-sulfonohydrazide
• CAS: 80466-94-0
• 化学式: C₅H₁₀N₄O₂S
• 分子量: 190.226
• InChiKey: ACALHRXQSFZNTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,5-dimethylpyrazole-4-sulfonohydrazide 、 4-甲氧基苯甲醛 以40%的产率得到
  参考文献：
  名称：

  CREMLYN, R. J.;SWINBOURNE, F. J.;YUNG, KIN-MAN, J. HETEROCYCL. CHEM., 1981, 18, N 5, 997-1006

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二甲基-1H-吡唑-4-磺酰氯 在 一水合肼 作用下， 以70%的产率得到3,5-dimethylpyrazole-4-sulfonohydrazide
  参考文献：
  名称：

  Cremlyn, Richard J.; Swinbourne, Fred J.; Yung, Kin-Man, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 997 - 1006

  摘要：

  DOI：

文献信息

• Development of novel NLRP3-XOD dual inhibitors for the treatment of gout
  作者：Weiwei Wang、Jing Pang、Eun Hee Ha、Mengze Zhou、Zhubin Li、Sheng Tian、Huanqiu Li、Qinghua Hu

  DOI：10.1016/j.bmcl.2019.126944

  日期：2020.2

  Gout is a crystalline-related arthropathy caused by the deposition of monosodium urate (MSU). Acute gouty arthritis is the most common first symptom of gout. Studies have shown that NOD-like receptor protein 3 (NLRP3) inflammasome as pattern recognition receptors can be activated by uric acid crystallization, triggering immune inflammation and causing acute gouty arthritis symptoms. Currently, the treatment of gout mainly includes two basic methods: reducing uric acid and alleviating inflammation. In this paper, 22 novel benzoxazole and benzimidazole derivatives were synthesized from deoxybenzoin oxime derivatives. These compounds have good inhibitory effects on NLRP3 and XOD screened by our research group in the early stage. The inhibitory activities of XOD and NLRP3 and their derivatives were also screened. Notably, compound 9b is a multi-targeting inhibitor of NLRP3 and XOD with excellent potency in treating hyperuricemia and acute gouty arthritis.
• Cremlyn, Richard J.; Swinbourne, Fred J.; Yung, Kin-Man, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 997 - 1006
  作者：Cremlyn, Richard J.、Swinbourne, Fred J.、Yung, Kin-Man

  DOI：——

  日期：——
• CREMLYN, R. J.;SWINBOURNE, F. J.;YUNG, KIN-MAN, J. HETEROCYCL. CHEM., 1981, 18, N 5, 997-1006
  作者：CREMLYN, R. J.、SWINBOURNE, F. J.、YUNG, KIN-MAN

  DOI：——

  日期：——