2-(3-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine | 1448862-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• 英文别名: 2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• CAS: 1448862-28-9
• 化学式: C₁₃H₁₃FN₂
• 分子量: 216.258
• InChiKey: UVAJQCROYXOMDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3'-氟苯乙酮 在 sodium hydride 、 一水合肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-(3-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
  参考文献：
  名称：

  A novel series of metabotropic glutamate receptor 5 negative allosteric modulators based on a 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine core

  摘要：

  A series of potent non-acetylinic negative allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 NAMs) was developed starting from HTS screening hit 1. Potency was improved via iterative SAR, and physicochemical properties were optimized to deliver orally bioavailable compounds acceptable for in vivo testing. A lead molecule from the series demonstrated dose-dependent activity in the second phase of the rat formalin test from 30 mg/kg, and a preliminary PK/PD relationship was established. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.044

文献信息

• NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150133428A1

  公开（公告）日：2015-05-14

  The invention provides compounds of Formula (I): and pharmaceutically acceptable salts thereof. The compounds of Formula (I) inhibit protein kinase activity thereby making them useful as anticancer agents.

  本发明提供式(I)的化合物及其药学上可接受的盐。式(I)的化合物抑制蛋白激酶活性，因此具有作为抗癌剂的用途。
• SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160311824A1

  公开（公告）日：2016-10-27

  The invention provides compounds of Formula (I): and pharmaceutically acceptable salts thereof. The compounds of Formula (I) inhibit protein kinase activity thereby making them useful as anticancer agents.
• US9273058B2
  申请人：——

  公开号：US9273058B2

  公开（公告）日：2016-03-01
• US9598423B2
  申请人：——

  公开号：US9598423B2

  公开（公告）日：2017-03-21