2-sulfanyl-5-(tetrahydro-2H-pyran-2-yloxy)pyrimidin-4(3H)-one | 894421-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-sulfanyl-5-(tetrahydro-2H-pyran-2-yloxy)pyrimidin-4(3H)-one
• 英文别名: 2-Mercapto-5-(tetrahydro-pyran-2-yloxy)-3H-pyrimidin-4-one；5-(oxan-2-yloxy)-2-sulfanylidene-1H-pyrimidin-4-one
• CAS: 894421-78-4
• 化学式: C₉H₁₂N₂O₃S
• 分子量: 228.272
• InChiKey: LUPMPAUFDRUMTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-sulfanyl-5-(tetrahydro-2H-pyran-2-yloxy)pyrimidin-4(3H)-one 在 ammonium hydroxide 、 镍 作用下， 以 水 为溶剂， 反应 4.0h， 以46%的产率得到5-羟基-4(1H)-嘧啶酮
  参考文献：
  名称：

  An autoxidation study of C2 substituted pyrimidine amino reductones

  摘要：

  Three pyrimidine derivatives (8a-c), differing from isouramil and divicine at C2, have been synthesized and their autoxidation rates measured spectrophotometrically. The autoxidation rates of all five pyrimidines (8a-c, isouramil and divicine) were correlated with sigma(+)(p) values (rho=-1.28, r(2)=0.949). (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2006.03.049
• 作为产物：
  描述：

  2-(四氢-2H-吡喃-2-基氧基)乙酸乙酯 在 sodium hydride 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 6.0h， 生成 2-sulfanyl-5-(tetrahydro-2H-pyran-2-yloxy)pyrimidin-4(3H)-one
  参考文献：
  名称：

  An autoxidation study of C2 substituted pyrimidine amino reductones

  摘要：

  Three pyrimidine derivatives (8a-c), differing from isouramil and divicine at C2, have been synthesized and their autoxidation rates measured spectrophotometrically. The autoxidation rates of all five pyrimidines (8a-c, isouramil and divicine) were correlated with sigma(+)(p) values (rho=-1.28, r(2)=0.949). (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2006.03.049

文献信息

• PYRIMIDINONE COMPOUNDS AND THEIR USE
  申请人：Cockcroft Xiao-Ling Fan

  公开号：US20140248378A1

  公开（公告）日：2014-09-04

  The present invention provides compounds of formula (1) and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , Y and Z are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供公式（1）的化合物及其药学上可接受的盐，其中R1，R2，Y和Z如规范中所定义，其制备过程，含有它们的制药组合物以及它们在治疗中的应用。
• SUBSTITUTED PYRIMIDINES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS EFFECTIVE ABSORBENTS OF UV IRRADIATION
  申请人：Claes Enk David

  公开号：US20100008874A1

  公开（公告）日：2010-01-14

  The present invention discloses substituted pyrimidines, processes for their synthesis and their use as effective sun-protecting agents either alone or in combination with other known sun-protecting agents.

  本发明揭示了取代嘧啶类化合物的合成方法，以及它们作为有效的防晒剂的用途，可以单独使用或与其他已知的防晒剂组合使用。
• Heterocyclic Compounds as Janus Kinase Inhibitors
  申请人：Babu Yarlagadda S.

  公开号：US20120149662A1

  公开（公告）日：2012-06-14

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula (I) and therapeutic methods for suppressing an immune response or treating cancer or a hematologic malignancy using compounds of formula (I).

  本发明提供了以下式子（I）的化合物或其盐，如本文所述。本发明还提供了包含式子（I）化合物的制药组合物，制备式子（I）化合物的方法，用于制备式子（I）化合物的中间体以及使用式子（I）化合物抑制免疫反应或治疗癌症或血液恶性肿瘤的治疗方法。
• Pyrimidinone compounds and their use
  申请人：Cockcroft Xiao-Ling Fan

  公开号：US10085986B2

  公开（公告）日：2018-10-02

  The present invention provides compounds of formula (1) and pharmaceutically acceptable salts thereof, wherein R1, R2, Y and Z are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式 (1) 化合物及其药学上可接受的盐（其中 R1、R2、Y 和 Z 如说明书中所定义）、其制备工艺、含有它们的药物组合物以及它们在治疗中的用途。
• [EN] PYRIMIDINONE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS PYRIMIDINONES ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013004995A8

  公开（公告）日：2013-03-07