2-(2-benzylsulfinyl-1-hydroxy-1-methyl-ethyl)-5,7-dihydroxy-9-methyl-1,2,3,4-tetrahydrobenzocyclohepten-6-one

• 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-(2-benzylsulfinyl-1-hydroxy-1-methyl-ethyl)-5,7-dihydroxy-9-methyl-1,2,3,4-tetrahydrobenzocyclohepten-6-one
• 英文别名: 2-(1-Benzylsulfinyl-2-hydroxypropan-2-yl)-5,6-dihydroxy-9-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-7-one；2-(1-benzylsulfinyl-2-hydroxypropan-2-yl)-5,6-dihydroxy-9-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-7-one
• 化学式: C₂₂H₂₆O₅S
• 分子量: 402.511
• InChiKey: UUMVQAHNOXXOSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• TROPOLONE COMPOUNDS FOR TREATING OR PREVENTING RETROVIRAL INFECTION
  申请人：Beutler John A.

  公开号：US20140249181A1

  公开（公告）日：2014-09-04

  Disclosed are compounds that inhibit RNase H activity of retroviruses, for example, a compound of formula (I) wherein R 1 , R 2 , and R 3 are as described herein, as well as pharmaceutically acceptable salts, solvates, stereoisomers, and prodrugs thereof. Pharmaceutical compositions comprising such compounds, as well as methods of use, and treatment or prevention of infection by human immunodeficiency virus (HIV).
• US8993768B2
  申请人：——

  公开号：US8993768B2

  公开（公告）日：2015-03-31