4-methyl-pyrido[2,3-d]pyrimidine-7(8H)-one | 83410-24-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 4-methyl-pyrido[2,3-d]pyrimidine-7(8H)-one
• 英文别名: 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
• CAS: 83410-24-6
• 化学式: C₈H₇N₃O
• 分子量: 161.163
• InChiKey: PHOLLAGTGGRDBH-UHFFFAOYSA-N

物化性质

• 熔点：
  265-270 °C(Solv: acetone (67-64-1))
• 沸点：
  337.0±25.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯-5-碘-6-甲基嘧啶 在 palladium dichloride 氨 、 sodium ethanolate 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 37.0h， 生成 4-methyl-pyrido[2,3-d]pyrimidine-7(8H)-one
  参考文献：
  名称：

  Studies on pyrimidine derivatives. XXVIII. Synthesis of pyridopyrimidine derivatives by cross-coupling of halopyrimidines with olefins and acetylenes.

  摘要：

  由适当的嘧啶衍生物合成了三种吡啶嘧啶。4-amino-5-iodopyrimidines 与 α, β-unsaturated carboxylic esters 发生交叉偶联，然后进行闭环反应，得到吡啶并[2, 3-d] 嘧啶。4- 乙氧羰基-5-苯基乙炔基和 5- 乙氧羰基-4-苯基乙炔基嘧啶通过相应的卤代嘧啶与苯乙炔的交叉偶联得到了吡啶并[3，4-d]嘧啶和吡啶并[4，3-d]嘧啶。

  DOI：

  10.1248/cpb.30.2410

文献信息

• 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS
  申请人：Cheng Hengmiao

  公开号：US20080090801A1

  公开（公告）日：2008-04-17

  The present invention is directed to novel 4-methylpyridopyrimidinone compounds of Formula (I), and to salts thereof, their synthesis, and their use as inhibitors of phosphoinositide 3-kinase alpha (PI3-Kα).

  本发明涉及一种新颖的4-甲基吡啶嘧啶酮化合物（I式），以及其盐、它们的合成和它们作为磷脂酰肌醇3-激酶α（PI3-Kα）抑制剂的用途。
• SAKAMOTO, TAKAO;KONDO, YOSHINORI;YAMANAKA, HIROSHI, CHEM. AND PHARM. BULL., 1982, 30, N 7, 2410-2416
  作者：SAKAMOTO, TAKAO、KONDO, YOSHINORI、YAMANAKA, HIROSHI

  DOI：——

  日期：——
• PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP2074122B1

  公开（公告）日：2011-06-29
• PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS
  申请人：Oslob Johan D.

  公开号：US20110059976A1

  公开（公告）日：2011-03-10

  The present invention provides compounds having the formula: wherein A-B together represent one of the following structures: and n, R 1 , R 2 , R 3 , R 4 , L 1 , L 2 , Y and Z are as defined in classes and subclasses herein, and pharmaceutical compositions thereof, as described generally and in subclasses herein, which compounds are useful as inhibitors of protein kinase (e.g., RAF), and thus are useful, for example, for the treatment of RAF mediated diseases.
• Combination Therapies for Treating Hematologic Malignancies Using Pyridopyrimidinone Inhibitors of PI3K/mTOR with Bendamustine and/or Rituximab
  申请人：DeCillis Arthur

  公开号：US20140302012A1

  公开（公告）日：2014-10-09

  The invention provides a method for treating cancers including hematologic malignancies comprising administering a compound of Formula (I): in combination with one or both of bendamustine and rituximab.