Tetrahydro-1,2,3,4-dioxo-2,4-acetonyl-6-pyrimidin | 62175-77-3

• 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: Tetrahydro-1,2,3,4-dioxo-2,4-acetonyl-6-pyrimidin
• 英文别名: 6-(2-oxopropyl)uracil；6-(2-oxo-propyl)-1H-pyrimidine-2,4-dione；6-(2-Oxopropyl)-2,4(1H,3H)-pyrimidinedione；6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
• CAS: 62175-77-3
• 化学式: C₇H₈N₂O₃
• 分子量: 168.152
• InChiKey: DBUVTTNCNPGTOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2,6-Dimethoxypyrimidin-4-yl)propan-2-one 在 盐酸 、 水 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 48.0h， 以37.7 mg的产率得到Tetrahydro-1,2,3,4-dioxo-2,4-acetonyl-6-pyrimidin
  参考文献：
  名称：

  Short Access to 6-Substituted Pyrimidine Derivatives by the S_RN1 Mechanism. Synthesis of 6-Substituted Uracils through a One-Pot Procedure

  摘要：

  The synthesis of 6-substituted 2,4-dimethoxypyrimidines with different nucleophiles was accomplished with good to excellent yields (50-95%) through S(RN)1 reactions, starting from commercially available 6-chloro-2,4-dimethoxypyrimidine (1). Hydrolysis of these derivatives gave access to 6-substituted uracils with good yields and short times by the use of microwave irradiation. The preparation of uracils from 1 without the isolation of 2,4-dimethoxypyrimidine derivatives affords a rapid access to these compounds in good yields and excellent purity by avoiding an unnecessary step of purification.

  DOI：

  10.1021/jo101064e

文献信息

• PYRROLIDINYL SULFONE RORGAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150191483A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中所有取代基都在此定义。还提供了包含相同成分的药物组合物。这类化合物和组合物在调节细胞中RORγ活性的方法和治疗受疾病或紊乱困扰的主体中是有用的，例如，主体将从调节RORγ活性中获益的自免疫和/或炎症紊乱。
• PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3092229B1

  公开（公告）日：2018-03-28
• US9458171B2
  申请人：——

  公开号：US9458171B2

  公开（公告）日：2016-10-04
• [EN] PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS<br/>[FR] DÉRIVÉS DE PYRROLIDINYLE SULFONE ET LEUR UTILISATION EN TANT QUE MODULATEURS DE ROR GAMMA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015103509A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.