2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidin-4-ol

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidin-4-ol
• 英文别名: 6-(methylsulfonylmethyl)-2-(methylthio)pyrimidin-4-ol；6-(Methylsulfonylmethyl)-2-(methylthio)pyrimidin-4-ol；2-methylsulfanyl-4-(methylsulfonylmethyl)-1H-pyrimidin-6-one
• 化学式: C₇H₁₀N₂O₃S₂
• 分子量: 234.3
• InChiKey: YMBZPKIXMGGKIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidin-4-ol 在 盐酸 、 四(三苯基膦)钯 、 噻吩-2-甲酸亚铜(I) 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 25.5h， 生成 4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidine-2-yl]aniline
  参考文献：
  名称：

  Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor

  摘要：

  High throughput screening to identify inhibitors of the mTOR kinase revealed sulfonyl-morpholino-pyrimidine 1 as an attractive start point. The compound displayed good physicochemical properties and selectivity over related kinases such as PI3K alpha. Library preparation of related analogs allowed the establishment of additional SAR understanding and in particular the requirement for a key hydrogen bond donor motif at the 4-position of the phenyl ring in compounds such as indole 19. Isosteric replacement of the indole functionality led to the identification of urea compounds such as 32 that show good levels of mTOR inhibition in both enzyme and cellular assays. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.036
• 作为产物：
  描述：

  sodium methansulfinate 、 6-(氯甲基)-2-(甲基硫代)嘧啶-4(3h)-酮 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidin-4-ol
  参考文献：
  名称：

  WO2007/80382

  摘要：

  公开号：

文献信息

• [EN] PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE PYRIMIDINE ET D'INDOLE POUR LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2010073034A1

  公开（公告）日：2010-07-01

  There is provided pyrimidinyl indole compounds of Formula (I), or pharmaceutically acceptable salts thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy, particularly for treating cancer.

  提供了式（I）的嘧啶基吲哚化合物，或其药用盐，其制备方法，含有它们的药物组合物以及它们在治疗中的应用，特别是用于治疗癌症。
• MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：Finlay Maurice Raymond Verschoyle

  公开号：US20090325957A1

  公开（公告）日：2009-12-31

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy, for example in the treatment of proliferative disease such as cancer and particularly in disease mediated by an mTOR kinase and/or one or more PI3K enzyme.

  化合物式(I)或其药学上可接受的盐，其制备方法，包含它们的制药组合物以及它们在治疗中的用途，例如在治疗增殖性疾病如癌症中，特别是在由mTOR激酶和/或一个或多个PI3K酶介导的疾病中。
• Transcutaneous immunostimulation
  申请人：Finlay Maurice Raymond Verschoyle

  公开号：US20080171743A1

  公开（公告）日：2008-07-17

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy, for example in the treatment of proliferative disease such as cancer and particularly in disease mediated by an mTOR kinase and/or one or more PI3K enzyme.

  公式为（I）的化合物或其药学上可接受的盐，其制备过程，包含它们的制药组合物以及它们在治疗中的用途，例如在治疗增生性疾病如癌症和特别是由mTOR激酶和/或一个或多个PI3K酶介导的疾病中的用途。
• CHEMICAL COMPOUNDS 610
  申请人：Foote Kevin Michael

  公开号：US20110053923A1

  公开（公告）日：2011-03-03

  There is provided pyrimidinyl indole compounds of Formula (I), or pharmaceutically acceptable salts thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  提供了式(I)的嘧啶基吲哚化合物或其药学上可接受的盐，其制备过程，包含它们的制药组合物以及它们在治疗中的使用。
• Compounds-943
  申请人：AstraZeneca AB

  公开号：US07750003B2

  公开（公告）日：2010-07-06

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy, for example in the treatment of proliferative disease such as cancer and particularly in disease mediated by an mTOR kinase and/or one or more PI3K enzyme.

  化合物式(I)或其药学上可接受的盐，其制备过程，包含它们的制药组合物以及它们在治疗中的应用，例如在治疗增生性疾病如癌症中，特别是在由mTOR激酶和/或一个或多个PI3K酶介导的疾病中。