9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-3,7-dioxa-9-azabicyclo[3.3.1]nonane | 1186334-33-7

• 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: 9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-3,7-dioxa-9-azabicyclo[3.3.1]nonane
• 英文别名: 9-{3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzyl}-3,7-dioxa-9-azabicyclo[3.3.1]nonane；9-[[3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-3,7-dioxa-9-azabicyclo[3.3.1]nonane
• CAS: 1186334-33-7
• 化学式: C₃₁H₂₆FN₇O₂
• 分子量: 547.592
• InChiKey: GXFJFRRQODZUEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  93.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,7-二噁英-9-氮杂双环[3.3.1]壬烷 、 4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzaldehyde 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-3,7-dioxa-9-azabicyclo[3.3.1]nonane
  参考文献：
  名称：

  Indazolylpyrazolopyrimidine as Highly Potent B-Raf Inhibitors with in Vivo Activity

  摘要：

  Novel indazolylpyrazolo[1,5-a]pyrimidine analogues have been prepared and found to be extremely potent type I B-Raf inhibitors. The lead compound shows good selectivity against a panel of 60 kinases, possesses a desirable pharmacokinetic profile, and demonstrates excellent in vivo antitumor efficacy in B-Raf mutant xenograft models.

  DOI：

  10.1021/jm1007566

文献信息

• Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof
  申请人：Levin Jeremy Ian

  公开号：US20100029657A1

  公开（公告）日：2010-02-04

  Compounds of formula A: and pharmaceutically acceptable salts thereof are described, which selectively inhibit Raf kinase activity and are useful for treating disorders mediated by Raf kinases.

  描述了化学式A的化合物及其药学上可接受的盐，这些化合物可选择性地抑制Raf激酶活性，并用于治疗由Raf激酶介导的疾病。
• BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF
  申请人：Wyeth LLC

  公开号：EP2271649A1

  公开（公告）日：2011-01-12
• [EN] BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES BICYCLIQUES PONTÉS OU HÉTÉROCYCLIQUES BICYCLIQUES SPIRO DE PYRAZOLO[1,5-A]PYRIMIDINES, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS
  申请人：WYETH CORP

  公开号：WO2009108838A1

  公开（公告）日：2009-09-03

  Compounds of formula A and pharmaceutically acceptable salts thereof are described, which selectively inhibit Raf kinase activity and are useful for treating disorders mediated by Raf kinases.
• Indazolylpyrazolopyrimidine as Highly Potent B-Raf Inhibitors with in Vivo Activity
  作者：Xiaolun Wang、Dan M. Berger、Edward J. Salaski、Nancy Torres、Minu Dutia、Cilien Hanna、Yongbo Hu、Jeremy I. Levin、Dennis Powell、Donald Wojciechowicz、Karen Collins、Eileen Frommer、Judy Lucas

  DOI：10.1021/jm1007566

  日期：2010.11.11

  Novel indazolylpyrazolo[1,5-a]pyrimidine analogues have been prepared and found to be extremely potent type I B-Raf inhibitors. The lead compound shows good selectivity against a panel of 60 kinases, possesses a desirable pharmacokinetic profile, and demonstrates excellent in vivo antitumor efficacy in B-Raf mutant xenograft models.