3-(chloromethyl)tetrahydrothiophene 1,1-dioxide | 321971-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环戊烷
• 英文名称: 3-(chloromethyl)tetrahydrothiophene 1,1-dioxide
• 英文别名: 3-(chloromethyl)thiolane 1,1-dioxide
• CAS: 321971-80-6
• 化学式: C₅H₉ClO₂S
• mdl: MFCD00726866
• 分子量: 168.644
• InChiKey: UCPALMJXNYQPBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-methylsulfanyl-pyrimidin-4-yl)-1H-indol-4-ol 、 3-(chloromethyl)tetrahydrothiophene 1,1-dioxide 在 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 3-[[1-(2-Methylsulfanylpyrimidin-4-yl)indol-4-yl]oxymethyl]thiolane 1,1-dioxide
  参考文献：
  名称：

  Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): Optimization for JNK potency and physicochemical properties

  摘要：

  A novel series of indole/indazole-aminopyrimidines was designed and synthesized with an aim to achieve optimal potency and selectivity for the c-Jun kinase family or JNKs. Structure guided design was used to optimize the series resulting in a significant potency improvement. The best compound (17) has IC50 of 3 nM for JNK1 and 20 nM for JNK2, with greater than 40-fold selectivity against other kinases with good physicochemical and pharmacokinetic properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.04.029

文献信息

• [EN] COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION<br/>[FR] COMPOSÉS UTILISÉS POUR TRAITER UNE INFECTION CINÉTOPLASTIDE
  申请人：IRBM SCIENCE PARK S P A

  公开号：WO2018115275A1

  公开（公告）日：2018-06-28

  The present invention relates to a class of novel heterocyclic compounds, to pharmaceutical compositions comprising the compounds and their use in the treatment of kinetoplastid infections.

  本发明涉及一类新颖的杂环化合物，以及包含这些化合物的药物组合物及其在治疗运动毛虫感染中的用途。
• Compounds for use in the treatment of kinetoplastid infection
  申请人：C.N.C.C.S. S.c.a.r.l. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING

  公开号：US10815222B2

  公开（公告）日：2020-10-27

  The present invention relates to a class of novel heterocyclic compounds, to pharmaceutical compositions containing the compounds and their use in the treatment of kinetoplastid infections.

  本发明涉及一类新型杂环化合物、含有该化合物的药物组合物及其在治疗奇梭菌感染中的用途。
• COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION
  申请人：C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening

  公开号：EP3558980B1

  公开（公告）日：2021-01-27