2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone | 340042-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone
• 英文别名: 2-[2-(methylsulfanyl)pyrimidin-4-yl]-1-phenylethanone；2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one；2-(2-methylsulfanylpyrimidin-4-yl)-1-phenylethanone
• CAS: 340042-28-6
• 化学式: C₁₃H₁₂N₂OS
• 分子量: 244.317
• InChiKey: RERFOTMKOSGPFE-UHFFFAOYSA-N

物化性质

• 沸点：
  416.3±20.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone 在 Oxone 、 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 生成 3-(2-Methoxy-4-pyrimidinyl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
  参考文献：
  名称：

  Imidazopyrimidines, potent inhibitors of p38 MAP kinase

  摘要：

  The MAP kinase p38 is implicated in the release of the pro-inflammatory cytokines TNF-alpha and IL-1beta. Inhibition of cytokine release may be a useful treatment for inflammatory conditions such as rheumatoid arthritis and Crohn's disease. A novel series of imidazopyrimidines have been discovered that potently inhibit p38 and suppress the production of TNF-alpha in vivo. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01020-x
• 作为产物：
  描述：

  2-mercapto-6-methylpyrimidine 在 sodium hydroxide 、 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone
  参考文献：
  名称：

  Imidazopyrimidines, potent inhibitors of p38 MAP kinase

  摘要：

  The MAP kinase p38 is implicated in the release of the pro-inflammatory cytokines TNF-alpha and IL-1beta. Inhibition of cytokine release may be a useful treatment for inflammatory conditions such as rheumatoid arthritis and Crohn's disease. A novel series of imidazopyrimidines have been discovered that potently inhibit p38 and suppress the production of TNF-alpha in vivo. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01020-x

文献信息

• [EN] PYRAZOLOPYRIDINE DERIVATES<br/>[FR] DERIVES DE PYRAZOLOPYRIDINE
  申请人：URIACH Y COMPANIA S A J

  公开号：WO2004076450A1

  公开（公告）日：2004-09-10

  New compounds of formula (I) and the salts, solvates and prodrugs thereof, wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

  公式（I）的新化合物及其盐、溶剂合物和前药，其中各种取代基的含义如描述中所披露的。这些化合物可用作p38激酶抑制剂。
• Substituted azoles
  申请人：——

  公开号：US20020049220A1

  公开（公告）日：2002-04-25

  1 wherein the symbols have meaning as defined herein, are p38 MAP kinase inhibitors, and are useful pharmaceutically for treating TNF&agr; and IL- 1 mediated diseases, such as rheumatoid arthritis, and diseases of bone metabolism, e.g. osteoporosis.

  其中符号具有本文所定义的含义，是p38 MAP激酶抑制剂，并在药学上用于治疗由TNF&agr;和IL-1介导的疾病，如类风湿关节炎，以及骨代谢疾病，例如骨质疏松症。
• Synthesis of novel 4-(2-amino-5-thiazolyl)-pyrimidine-2-amines as potential protein kinase inhibitors
  作者：Marko P. Sušnik、Michael Schnürch、Marko D. Mihovilovic、Kurt Mereiter、Peter Stanetty

  DOI：10.1007/s00706-008-0047-9

  日期：2009.4

  AbstractA short and efficient sequence for the synthesis of a series of 4-(2-amino-5-thiazolyl)-pyrimidine-2-amines was developed. 1-Phenyl-2-(6-pyrimidinyl)-ethanones, obtained via Weinreb’s methodology, were used in a Hantzsch thiazole cyclization reaction, followed by introduction of the aniline moieties via nucleophilic substitution. Graphical abstract

  摘要开发了合成一​​系列4-（2-氨基-5-噻唑基）-嘧啶-2-胺的短而有效的序列。通过Weinreb的方法获得的1-苯基-2-（6-嘧啶基）-乙炔用于汉茨噻唑环化反应，然后通过亲核取代引入苯胺部分。 图形概要
• Pyrazolopyridine derivates
  申请人：Almansa Rosales Carmen

  公开号：US20060167040A1

  公开（公告）日：2006-07-27

  New compounds of formula (I) and the salts, solvates and prodrugs thereof, wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

  新化合物的公式为（I），以及其盐，溶剂合物和前药，其中各种取代基的含义如描述所示。这些化合物可用作p38激酶抑制剂。
• Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use
  申请人：——

  公开号：US20040082604A1

  公开（公告）日：2004-04-29

  Compounds of formula (I) 1 and pharmaceutically-acceptable and pharmaceutically-acceptable and -cleavable esters thereof and acid addition salts thereof, wherein the symbols are as defined are MAP kinase inhibitors, useful pharmaceutically for treating TNF&agr; and IL-1 mediated diseases such as rheumatoid arthritis and diseases of bone metabolism, e.g. osteoporosis.

  公式（I）1的化合物及其药学上可接受和可分解酯和酸盐加合物是MAP激酶抑制剂，对于治疗由TNF&agr;和IL-1介导的疾病如类风湿性关节炎和骨代谢疾病，例如骨质疏松症，在药学上是有用的。其中符号的定义如上所述。