2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

• 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-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
• 化学式: C₁₉H₂₀BrN₅OS
• 分子量: 446.4
• InChiKey: LIIWCBDLGLBHLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methylthio-5-(2-methylpyrid-5-ylmethyl)-1H-pyrimid-4-one 生成 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• A process for preparing pyrimidones
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0024873A1

  公开（公告）日：1981-03-11

  A process is disclosed for preparing compounds of formula (1) : and acid addition salts thereof where Het is an optionally substituted 5-or6- membered fully unsaturated nitrogen containing heterocyclic group where the substituents (which can be the same or different) are one or more C1-4 alkyl, trifluoromethyl, halogen, hydroxy, C1-4 alkoxy or amino groups; n is 2 or 3; Z is hydrogen or C1-4 alkyl; A is C1-5 alkylene optionally interrupted with oxygen or sulphur and B is hydrogen, methyl, C3-6 cycloalkyl, an optionally substituted heteroaryl group where the substituents (which can be the same or different) are one or more C1-4 alkyl, C1-4 alkoxy or hydroxy groups; or B is a naphthyl, 5- or 6-(2,3-dihydro-1, 4-benzodioxinyl) or a 4- or 5-(1,3-benzodioxolyl) group or an optionally substituted phenyl group where the substituents (which can be the same or different) are one or more C1-4 alkyl, C1-4 alkoxy, halogen, aryl-(C1-4 alkoxy), hydroxy, C1-4 alkoxy-C1-4 alkoxy, trifluoromethyl, di(C1-4 alkyl) amino, phenoxy, halophenyl, or C1-4 alkoxyphenyl groups which comprises reacting a compound of formula (4) :- or an acid addition salt thereof where Het is as defined with reference to formula 11) provided that any substituents which interfere with the reaction are protected and L is a group displacable with thiol with a compound of formula (3) :- or an acid addition salt thereof where n, Z, A and B are as defined with reference to formula (1) provided that any phenolic hydroxy groups within B are optionally protected, and thereafter removing any protecting groups.

  本发明公开了一种制备式 (1) ： 及其酸加成盐 其中 Het 是任选取代的 5 或 6 位元完全不饱和含氮杂环基团，取代基（可以相同或不同）是一个或多个 C1-4 烷基、三氟甲基、卤素、羟基、C1-4 烷氧基或氨基；n 是 2 或 3；Z 是氢或 C1-4 烷基；A 是任选用氧或硫间断的 C1-5 亚烷基，B 是氢、甲基、C3-6 环烷基、任选取代的杂芳基，其中取代基（可以相同或不同）是一个或多个 C1-4 烷基、C1-4 烷氧基或羟基；或 B 是萘基、5-或 6-(2,3-二氢-1,4-苯并二氧杂环戊基)或 4-或 5-(1,3-苯并二氧杂环戊基)基团或任选取代的苯基，其中取代基（可以相同或不同）是一个或多个 C1-4 烷基、C1-4 烷氧基、卤素或羟基、- 或其酸加成盐，其中 Het 如参照式 11 所定义），条件是任何干扰反应的取代基均被保护，且 L 为可与硫醇置换的基团，与式 (3) 化合物：- 反应 或其酸加成盐 其中 n、Z、A 和 B 如参照式（1）所定义，但 B 中的任何酚羟基可选择被保护，然后去除任何保护基团。
• ——
  作者：

  DOI：——

  日期：——
• Pyridylalkylpyrimidone compounds, process for preparing them and pharmaceutical compositions containing them
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0017679B1

  公开（公告）日：1982-02-24
• BROWN, THOMAS H.;BLAKEMORE, ROBERT C.;BLURTON, PETER;DURANT, GRAHAM J.;GA+, EUR. J. MED. CHEM., 24,(1989) N, C. 65-72
  作者：BROWN, THOMAS H.、BLAKEMORE, ROBERT C.、BLURTON, PETER、DURANT, GRAHAM J.、GA+

  DOI：——

  日期：——
• US4154834A
  申请人：——

  公开号：US4154834A

  公开（公告）日：1979-05-15