N-(4-ethyl-3-(3-methylbut-2-enyloxy)phenylthiazol)-2-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(4-ethyl-3-(3-methylbut-2-enyloxy)phenylthiazol)-2-amine
• 英文别名: N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine；N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
• 化学式: C₁₆H₂₀N₂OS
• 分子量: 288.414
• InChiKey: DHGUBEMTMXQPCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  62.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙基苯胺 在 platinum(IV) oxide 盐酸 、 硫酸 、 氢气 、 caesium carbonate 、 potassium nitrate 、 sodium nitrite 作用下， 以 乙醇 、 丙酮 为溶剂， 80.0~90.0 ℃ 、101.33 kPa 条件下， 生成 N-(4-ethyl-3-(3-methylbut-2-enyloxy)phenylthiazol)-2-amine
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037

文献信息

• Compounds and Methods for the Treatment of Viruses and Cancer
  申请人：Jorgensen William L.

  公开号：US20100222352A1

  公开（公告）日：2010-09-02

  The present invention relates to compounds according to the formula I: Where R a is H or an optionally OH-substituted C 1 -C 3 alkyl; R 1 is OR 1 , an optionally substituted C 4-12 carbocyclic group which may be saturated or unsaturated (including aromatic) or an optionally substituted heterocyclic group; R 1 is an optionally substituted C 1 -C 14 hydrocarbyl group or an optionally substituted heterocyclic group; R 2 , R 3 and R 4 are each independently H, an optionally substituted C 1 -C 4 alkyl group (preferably CH 3 , CH 2 CH 3 or CF 3 ), halogen (preferably F, Cl, Br), OR, CN, NO 2 , a C 1 -C 6 thioether, a C 1 -C 6 thioester group, an optionally substituted CO 2 R group, an optionally substituted COR group or an optionally substituted OCOR group (preferably R 4 is H); R is H or an optionally substituted C 1 -C 6 alkyl group; RHET is an optionally substituted heterocyclic group; and pharmaceutically acceptable salts, solvates or polymorphs thereof.

  本发明涉及公式I的化合物：其中R为H或可选择的OH取代的C1-C3烷基; R1为OR1，可选择取代的C4-12碳环基，可饱和或不饱和（包括芳香族）或可选择取代的杂环基; R1为可选择取代的C1-C14烃基或可选择取代的杂环基; R2、R3和R4各自独立地为H、可选择取代的C1-C4烷基（优选为CH3、CH2CH3或CF3）、卤素（优选为F、Cl、Br）、OR、CN、NO2、C1-C6硫醚、C1-C6硫酯基、可选择取代的CO2R基团、可选择取代的COR基团或可选择取代的OCOR基团（优选R4为H）; R为H或可选择取代的C1-C6烷基; RHET为可选择取代的杂环基;以及其药学上可接受的盐、溶剂或多晶体。
• WO2007/38387
  申请人：——

  公开号：——

  公开（公告）日：——
• US9018209B2
  申请人：——

  公开号：US9018209B2

  公开（公告）日：2015-04-28
• Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase
  作者：Juliana Ruiz-Caro、Aravind Basavapathruni、Joseph T. Kim、Christopher M. Bailey、Ligong Wang、Karen S. Anderson、Andrew D. Hamilton、William L. Jorgensen

  DOI：10.1016/j.bmcl.2005.10.037

  日期：2006.2

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.