2,6-Diisopropyl-Phenylcyanat | 53893-37-1

• 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: 2,6-Diisopropyl-Phenylcyanat
• 英文别名: Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester；[2,6-di(propan-2-yl)phenyl] cyanate
• CAS: 53893-37-1
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: DQPQNMHTZWNXRI-UHFFFAOYSA-N

物化性质

• 沸点：
  265.4±50.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氨基苯并咪唑 、 2,6-Diisopropyl-Phenylcyanat 以 1,4-二氧六环 、 水 为溶剂， 生成 2-Amino-benzoimidazole-1-carboximidic acid 2,6-diisopropyl-phenyl ester
  参考文献：
  名称：

  Glatt, Hans Horst; Bacaloglu, Ilse; Ky, Truong The, Journal fur praktische Chemie (Leipzig 1954), 1982, vol. 324, # 5, p. 803 - 808

  摘要：

  DOI：

文献信息

• SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS
  申请人：Inflazome Limited

  公开号：US20210130329A1

  公开（公告）日：2021-05-06

  The present invention relates to sulfonylureas and sulfonylthioureas comprising a 5-membered heteroaryl ring attached to the sulfonyl group, wherein the heteroaryl ring is di-substituted at the 3- and 4-positions relative to the point of attachment of the sulfonyl group, wherein at least one of the di-substituents contains a nitrogen atom. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP 3 .
• [EN] SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS<br/>[FR] SULFONYLURÉES ET SULFONYLTHIOURÉES UTILISÉS EN TANT QU'INHIBITEURS DE NLRP3
  申请人：INFLAZOME LTD

  公开号：WO2019034693A1

  公开（公告）日：2019-02-21

  The present invention relates to sulfonylureas and sulfonylthioureas comprising a monocyclic imidazolyl group. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.