N-(2,4,6-Trimethyl-phenyl)-2-[1-(2,4,6-trimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2,4,6-Trimethyl-phenyl)-2-[1-(2,4,6-trimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
• 英文别名: N-(2,4,6-trimethylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
• 化学式: C₂₁H₂₅N₅OS
• mdl: MFCD02638028
• 分子量: 395.5
• InChiKey: RKAHQMLMOMPLCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Non-nucleoside reverse transcriptase inhibitors
  申请人：Simoneau Bruno

  公开号：US20050054639A1

  公开（公告）日：2005-03-10

  Disclosed herein are compounds of formula Ar 1 —X—W—Ar 2 wherein Ar 1 and Ar 2 represent aryl groups characterized generally as aromatic heterocycles (e.g. imidazolyl or tetrazolyl) or carbocycles (e.g. phenyl or naphthalenyl); the aryl groups are optionally substituted or fused with other heterocycles or carbocycles; the aryl groups can bear substituents such as alkyl, halo or O-alkyl. X is a heteroatom, a valence bond or an optionally substituted divalent methylene, and W represents a spacer; typical spacers include divalent alkylene or alkylene-amido, -amido or -oxy radicals, which may optionally be substituted (e.g. hydroxyl or oxo). A typical compound is a derivative of 2-(N-napthalenyltetrazolylthio)-N-(2-nitrophenyl)acetamide. The compounds have inhibitory activity against Wild Type and single or double mutant strains of HIV.

  本文披露了公式Ar1-X-W-Ar2的化合物，其中Ar1和Ar2代表芳基基团，通常为芳香杂环（例如咪唑基或四唑基）或碳环（例如苯基或萘基），芳基基团可以选择性地与其他杂环或碳环取代或融合，芳基基团可以带有烷基，卤素或O-烷基等取代基。X是杂原子，价键或选择性取代的二价亚甲基，W代表间隔物；典型的间隔物包括二价烷基或烷基酰胺，-酰胺或-氧基基团，这些基团可以选择性地取代（例如羟基或氧代基）。典型的化合物是2-（N-萘基四唑基硫基）-N-（2-硝基苯基）乙酰胺的衍生物。这些化合物对HIV的野生型和单个或双重突变株具有抑制活性。
• NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1569919B1

  公开（公告）日：2012-04-18
• US7642277B2
  申请人：——

  公开号：US7642277B2

  公开（公告）日：2010-01-05
• [EN] HIV REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TRANSCRIPTASE INVERSE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2005115147A2

  公开（公告）日：2005-12-08

  Tetrazolyl derivatives of Formula (I): are HIV reverse transcriptase inhibitors, wherein U is O, S(O)n where n is an integer equal to zero, 1 or 2, or N(R4); V is optionally substituted C1-8 alkylene; W is C(O)N(R2) or a direct bond linking V to R3; and R1, R2, R3 and R4 are defined herein. The derivatives of Formula I are useful in the inhibition of HIV reverse transcriptase, the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The derivatives are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The derivatives and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.