Toluene-4-thiosulfonic acid S-(4-tert-butoxycarbonylamino-2-tert-butyl-5-methylphenyl) ester | 239804-63-8

• 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: Toluene-4-thiosulfonic acid S-(4-tert-butoxycarbonylamino-2-tert-butyl-5-methylphenyl) ester
• 英文别名: tert-butyl N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]carbamate
• CAS: 239804-63-8
• 化学式: C₂₃H₃₁NO₄S₂
• 分子量: 449.635
• InChiKey: FEBSLHNAUDGYNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Toluene-4-thiosulfonic acid S-(4-tert-butoxycarbonylamino-2-tert-butyl-5-methylphenyl) ester 在 盐酸 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]acetamide
  参考文献：
  名称：

  Nonpeptidic HIV protease inhibitors: 6-alkyl-5, 6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl, 5-methylphenyl thio) moiety: Antiviral activities and pharmacokinetic properties

  摘要：

  Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities against cytochrome P450 isozymes and pharmacokinetic properties of inhibitor 15S will be discussed.

  DOI：

  10.1016/s0960-894x(99)00237-1
• 作为产物：
  描述：

  4-叔丁基甲苯 在 palladium on activated charcoal sodium hydroxide 、 KH₂PO₄ buffer 、 DL-dithiothreitol 、 硫酸 、 氢气 、 溴 、 硝酸 、 三乙胺 、 sodium bromide 作用下， 以 乙醇 为溶剂， 生成 Toluene-4-thiosulfonic acid S-(4-tert-butoxycarbonylamino-2-tert-butyl-5-methylphenyl) ester
  参考文献：
  名称：

  Nonpeptidic HIV protease inhibitors: 6-alkyl-5, 6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl, 5-methylphenyl thio) moiety: Antiviral activities and pharmacokinetic properties

  摘要：

  Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities against cytochrome P450 isozymes and pharmacokinetic properties of inhibitor 15S will be discussed.

  DOI：

  10.1016/s0960-894x(99)00237-1

文献信息

• Methods of making dihydropyrone HIV protease inhibitors
  申请人：——

  公开号：US06380400B1

  公开（公告）日：2002-04-30

  The present invention relates to methods of making dihydropyrone HIV inhibitors.

  本发明涉及制备二氢吡喃类HIV抑制剂的方法。
• US6380400B1
  申请人：——

  公开号：US6380400B1

  公开（公告）日：2002-04-30
• [EN] METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS<br/>[FR] PROCEDES DE PREPARATION D'INHIBITEURS DIHYDROPYRONE DE PROTEASE DE VIH
  申请人：WARNER LAMBERT CO

  公开号：WO2000015625A2

  公开（公告）日：2000-03-23

  The present invention relates to methods of making dihydropyrone HIV protease inhibitors.
• Nonpeptidic HIV protease inhibitors: 6-alkyl-5, 6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl, 5-methylphenyl thio) moiety: Antiviral activities and pharmacokinetic properties
  作者：J.V.N. Vara Prasad、Fred E. Boyer、John M. Domagala、Edmund L. Ellsworth、Christopher Gajda、Susan E. Hagen、Larry J. Markoski、Bradley D. Tait、Elizabeth A. Lunney、Peter J. Tummino、Donna Ferguson、Tod Holler、Donald Hupe、Carolyn Nouhan、Stephen J. Gracheck、Steven VanderRoest、James Saunders、Krishna Iyer、Michael Sinz、Joanne Brodfuehrer

  DOI：10.1016/s0960-894x(99)00237-1

  日期：1999.6

  Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities against cytochrome P450 isozymes and pharmacokinetic properties of inhibitor 15S will be discussed.