4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidine-2-yl]aniline | 944058-10-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidine-2-yl]aniline
• 英文别名: 4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]aniline；4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
• CAS: 944058-10-0
• 化学式: C₁₆H₂₀N₄O₃S
• 分子量: 348.426
• InChiKey: RHVHCUGFSVBPQR-UHFFFAOYSA-N

物化性质

• 沸点：
  574.8±50.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidine-2-yl]aniline 、 环丁基甲酸 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]cyclobutanecarboxamide
  参考文献：
  名称：

  [EN] TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  [FR] COMPOSÉS 947

  摘要：

  公开号：

  WO2009007749A3
• 作为产物：
  描述：

  6-(氯甲基)-2-(甲基硫代)嘧啶-4(3h)-酮 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 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 26.5h， 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

文献信息

• 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。
• 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。
• TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Finlay Maurice Raymond, Verschoyle

  公开号：US20100261723A1

  公开（公告）日：2010-10-14

  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，特别是由mTOR激酶和/或一个或多个PI3K酶介导的疾病中的应用。
• MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY
  申请人：Dishington Allan Paul

  公开号：US20110034454A1

  公开（公告）日：2011-02-10

  A compound of formula (I) or a salt, ester or prodrug 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.

  化合物的公式（I）或其盐、酯或前药，它们的制备过程，包含它们的药物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中，特别是在由mTOR激酶和/或一个或多个PI3K酶介导的疾病中。