(2-aminopyridin-3-yl)(pyridin-4-yl)methanone | 1338970-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (2-aminopyridin-3-yl)(pyridin-4-yl)methanone
• 英文别名: (2-Aminopyridin-3-yl)-pyridin-4-ylmethanone
• CAS: 1338970-90-3
• 化学式: C₁₁H₉N₃O
• 分子量: 199.212
• InChiKey: YLHIFSTUJJTFQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-aminopyridin-3-yl)(pyridin-4-yl)methanone 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙醚 、 丙酮 为溶剂， 反应 1.33h， 生成 6-bromo-4-(pyridin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
  参考文献：
  名称：

  Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors

  摘要：

  Inhibition of the phosphoinositide 3-kinase (PI3K)/AKT/mammalian target of rapamycin (mTOR) signaling pathway provides a promising new approach for cancer therapy. Through a rational design, a novel series of thienopyrimidine was discovered as highly potent and selective PI3K inhibitors. These thienopyrimidine derivatives were demonstrated to bear nanomolar PI3K alpha inhibitory potency with over 100-fold selectivity against mTOR kinase. The lead compounds 6g and 6k showed good developability profiles in cell-based proliferation and ADME assays. In this communication, their design, synthesis, structure activity relationship, selectivity, and some developability properties are described.

  DOI：

  10.1021/ml5005014
• 作为产物：
  描述：

  N-甲氧基-n-甲基异烟酰胺 在 ammonium hydroxide 、 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 正己烷 、 水 为溶剂， 反应 7.0h， 生成 (2-aminopyridin-3-yl)(pyridin-4-yl)methanone
  参考文献：
  名称：

  [EN] PYRIDINIUM DERIVATIVES AS HERBICIDES
  [FR] DÉRIVÉS DE PYRIDINIUM EN TANT QU'HERBICIDES

  摘要：

  化合物的化学式（I）（I），其中取代基如权利要求书中所定义，作为杀虫剂特别是除草剂时有用。

  公开号：

  WO2021110890A1

文献信息

• [EN] PYRIDINIUM DERIVATIVES AS HERBICIDES<br/>[FR] DÉRIVÉS DE PYRIDINIUM EN TANT QU'HERBICIDES
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2021110890A1

  公开（公告）日：2021-06-10

  Compounds of the formula (I) (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as herbicides.

  化合物的化学式（I）（I），其中取代基如权利要求书中所定义，作为杀虫剂特别是除草剂时有用。
• Identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors
  作者：Songwen Lin、Fangbin Han、Peng Liu、Jing Tao、Xuechao Zhong、Xiujie Liu、Chongqin Yi、Heng Xu

  DOI：10.1016/j.bmcl.2013.12.112

  日期：2014.2

  Inhibition of the phosphoinositide 3-kinase (PI3K)/AKT/mammalian target of rapamycin ( mTOR) signaling pathway is one of the most intensively studied approaches to cancer therapy. Rational design led to the identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors. Design, synthesis and structure activity relationship are reported. (C) 2013 Elsevier Ltd. All rights reserved.
• Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors
  作者：Fangbin Han、Songwen Lin、Peng Liu、Xiujie Liu、Jing Tao、Xiaobing Deng、Chongqin Yi、Heng Xu

  DOI：10.1021/ml5005014

  日期：2015.4.9

  Inhibition of the phosphoinositide 3-kinase (PI3K)/AKT/mammalian target of rapamycin (mTOR) signaling pathway provides a promising new approach for cancer therapy. Through a rational design, a novel series of thienopyrimidine was discovered as highly potent and selective PI3K inhibitors. These thienopyrimidine derivatives were demonstrated to bear nanomolar PI3K alpha inhibitory potency with over 100-fold selectivity against mTOR kinase. The lead compounds 6g and 6k showed good developability profiles in cell-based proliferation and ADME assays. In this communication, their design, synthesis, structure activity relationship, selectivity, and some developability properties are described.