3-[2-(methylthio)-4-pyrimidinyl]-2-phenylimidazo[1,2-a]pyrimidin-7-amine | 340042-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[2-(methylthio)-4-pyrimidinyl]-2-phenylimidazo[1,2-a]pyrimidin-7-amine
• 英文别名: 3-(2-Methylsulfanyl-pyrimidin-4-yl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-ylamine；3-(2-methylsulfanylpyrimidin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
• CAS: 340042-11-7
• 化学式: C₁₇H₁₄N₆S
• 分子量: 334.404
• InChiKey: WYGVFMIQQCLMNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[2-(methylthio)-4-pyrimidinyl]-2-phenylimidazo[1,2-a]pyrimidin-7-amine 在 水 、 镍 作用下， 以 乙醇 为溶剂， 以44%的产率得到2-phenyl-3-(4-pyrimidinyl)imidazo[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：

  4-甲基-2-甲硫基嘧啶 在 氢溴酸 、 溴 、 sodium hexamethyldisilazane 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 3-[2-(methylthio)-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

文献信息

• SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1140939A1

  公开（公告）日：2001-10-10
• US6610697B1
  申请人：——

  公开号：US6610697B1

  公开（公告）日：2003-08-26
• [EN] SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-a]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS<br/>[FR] 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-a]PYRIMIDINES SUBSTITUEES, ET COMPOSITIONS PHARMACEUTIQUES ET PROCEDES ASSOCIES
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2001034605A1

  公开（公告）日：2001-05-17

  This invention relates to a series of imidazopyrimidines of Formula (I), and pharmaceutical compositions containing them. The compounds of the invention inhibit the production of a number of inflammatory cytokines and are useful in the treatment and prevention of diseases associated with the overproduction thereof.