4-bromo-2,6-dimethylbenzenethiol | 89981-04-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-bromo-2,6-dimethylbenzenethiol
• CAS: 89981-04-4
• 化学式: C₈H₉BrS
• 分子量: 217.129
• InChiKey: YEHKLAUEJMNLOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-2,6-dimethylbenzenethiol 在 palladium diacetate N-甲基吡咯烷酮 、 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 sodium hydride 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 150.0 ℃ 、1.0 MPa 条件下， 反应 112.0h， 生成 4-[4-(4-formyl-2,6-dimethylphenylsulfanyl)pyrimidin-2-ylamino]benznitrile
  参考文献：
  名称：

  Synthesis of novel diarylpyrimidine analogues of TMC278 and their antiviral activity against HIV-1 wild-type and mutant strains

  摘要：

  Novel diarylpyrimidines (DAPY), which represent next generation of non-nucleoside reverse transcriptase inhibitors (NNRTIs), were synthesized and their activities against human immunodeficiency virus type I (HIV-1) assessed. Modulations at positions 2 and 6 of the left phenyl ring generated interesting derivatives of TMC278 displaying high potency against wild-type and mutant viruses compared to nevirapine and efavirenz. The pharmacokinetic profile of the best newly synthesized DAPY was evaluated and compared with TMC278 now in phase II clinical trials. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.11.014

文献信息

• REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Shaginian Alex

  公开号：US20090162319A1

  公开（公告）日：2009-06-25

  Described herein are novel enzyme inhibitors. In some embodiments, the enzyme inhibitors are reverse transcriptase inhibitors, particularly HIV reverse transcriptase inhibitors. Also described herein are compositions containing them and methods of using them. Thus, the compounds and compositions described herein are useful for the in vitro and in vivo inhibition of HIV reverse transcriptase as a method of treating or preventing HIV, AIDS or related disorders.

  本文描述了一种新型的酶抑制剂。在某些实施例中，这些酶抑制剂是反转录酶抑制剂，特别是HIV反转录酶抑制剂。本文还描述了含有它们的组合物和使用它们的方法。因此，本文描述的化合物和组合物可用于体外和体内抑制HIV反转录酶，作为治疗或预防HIV、艾滋病或相关疾病的方法。
• Fused pyrimidines as reverse transcriptase inhibitors
  申请人：Ardea Biosciences, Inc.

  公开号：US08207178B2

  公开（公告）日：2012-06-26

  Described herein are novel enzyme inhibitors. In some embodiments, the enzyme inhibitors are reverse transcriptase inhibitors, particularly HIV reverse transcriptase inhibitors. Also described herein are compositions containing them and methods of using them. Thus, the compounds and compositions described herein are useful for the in vitro and in vivo inhibition of HIV reverse transcriptase as a method of treating or preventing HIV, AIDS or related disorders. In some embodiments, the enzyme inhibitors are compounds of formula (I) or a pharmaceutically acceptable salt or tautomer thereof:

  本文描述了一种新型酶抑制剂。在某些实施例中，这些酶抑制剂是反转录酶抑制剂，特别是HIV反转录酶抑制剂。本文还描述了包含它们的组合物和使用它们的方法。因此，本文所描述的化合物和组合物对于体外和体内抑制HIV反转录酶作为治疗或预防HIV、艾滋病或相关疾病的方法是有用的。在某些实施例中，这些酶抑制剂是公式（I）的化合物或其药学上可接受的盐或互变异构体：
• Purines as reverse transcriptase inhibitors
  申请人：Shaginian Alex

  公开号：US08372852B2

  公开（公告）日：2013-02-12

  Described herein are novel enzyme inhibitors. In some embodiments, the enzyme inhibitors are reverse transcriptase inhibitors, particularly HIV reverse transcriptase inhibitors. Also described herein are compositions containing them and methods of using them. Thus, the compounds and compositions described herein are useful for the in vitro and in vivo inhibition of HIV reverse transcriptase as a method of treating or preventing HIV, AIDS or related disorders. In some embodiments, the enzyme inhibitors are compounds of formula (I) or a pharmaceutically acceptable salt or tautomer thereof:

  本文描述了一种新型酶抑制剂。在某些实施例中，这些酶抑制剂是反转录酶抑制剂，特别是HIV反转录酶抑制剂。本文还描述了包含它们的组合物和使用它们的方法。因此，本文所描述的化合物和组合物可用于体外和体内抑制HIV反转录酶作为治疗或预防HIV、艾滋病或相关疾病的方法。在某些实施例中，酶抑制剂是式（I）的化合物或其药学上可接受的盐或互变异构体：
• US8207178B2
  申请人：——

  公开号：US8207178B2

  公开（公告）日：2012-06-26
• US8372852B2
  申请人：——

  公开号：US8372852B2

  公开（公告）日：2013-02-12