2-[5-(4-methoxy-phenyl)-1H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone | 54293-95-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[5-(4-methoxy-phenyl)-1H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone
• 英文别名: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone；2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
• CAS: 54293-95-7
• 化学式: C₁₇H₁₅N₃O₂S
• mdl: MFCD02215194
• 分子量: 325.391
• InChiKey: NGQGYRRXGRQGOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  93.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[5-(4-methoxy-phenyl)-1H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone 在 磷酸 、 phosphorus pentoxide 作用下， 生成 2-p-methoxyphenyl-5-phenylthiazolo<3,2-b>-s-triazole
  参考文献：
  名称：

  Dhaka,K.S. et al., Indian Journal of Chemistry, 1974, vol. 12, p. 485 - 489

  摘要：

  DOI：

文献信息

• SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE
  申请人：STINGINN LLC

  公开号：US20210188786A1

  公开（公告）日：2021-06-24

  In an embodiment of the present invention, compounds of the present application or pharmaceutically acceptable salts thereof are capable of interacting with and activating the stimulator of interferon genes (STING) protein. In an embodiment of the present invention, pharmaceutical compositions and methods involving such compounds as STING modulators are additionally provided herein.
• [EN] SUBSTITUTED 1,2, 4-TRIAZOLES AND METHODS OF USE<br/>[FR] 1,2,4-TRIAZOLES SUBSTITUÉS ET PROCÉDÉS D'UTILISATION
  申请人：STINGINN LLC

  公开号：WO2021127282A1

  公开（公告）日：2021-06-24

  In an embodiment of the present invention, compounds of the present application or pharmaceutically acceptable salts thereof are capable of interacting with and activating the stimulator of interferon genes (STING) protein. In an embodiment of the present invention, pharmaceutical compositions and methods involving such compounds as STING modulators are additionally provided herein.
• Dhaka,K.S. et al., Indian Journal of Chemistry, 1974, vol. 12, p. 485 - 489
  作者：Dhaka,K.S. et al.

  DOI：——

  日期：——