8-methyl-2-(4-fluorophenyl)-5-chloro-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridine | 805321-17-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 8-methyl-2-(4-fluorophenyl)-5-chloro-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridine
• 英文别名: 8-Chloro-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaene
• CAS: 805321-17-9
• 化学式: C₁₄H₈ClFN₄S
• 分子量: 318.762
• InChiKey: UVRTZXSFGSUZRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-methyl-2-(4-fluorophenyl)-5-chloro-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridine 在 氨 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 8-methyl-2-(4-fluorophenyl)-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridine-5-amine
  参考文献：
  名称：

  Novel Tricyclic Inhibitors of IκB Kinase

  摘要：

  The design and synthesis of a novel series of oxazole-, thiazole-, and imidazole-based inhibitors of I kappa B kinase (IKK) are reported. Biological activity was improved compared to the pyrazolopurine lead, and the expedient synthesis of the new tricyclic systems allowed for efficient exploration of structure-activity relationships. This, combined with an iterative rat cassette dosing strategy, was used to identify compounds with improved pharmacokinetic (PK) profiles to advance for in vivo evaluation.

  DOI：

  10.1021/jm8015816
• 作为产物：
  描述：

  8-methyl-2-(aminocarbonylmethylthio)-5-chloro-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridine 、 4-氟苯硼酸 在 tris-(dibenzylideneacetone)dipalladium(0) 噻吩-2-甲酸亚铜(I) 、 三(2-呋喃基)膦 作用下， 以 乙二醇二甲醚 为溶剂， 以39%的产率得到8-methyl-2-(4-fluorophenyl)-5-chloro-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridine
  参考文献：
  名称：

  [EN] OXAZOLYL - AND THIAZOLYL - PURINE BASED TRICYCLIC COMPOUNDS.
  [FR] COMPOSES TRICYCLIQUES A BASE D'OXAZOLO[4,5-B]PYRIDINE CONDENSEE A UN IMIDAZO ET DE THIAZOLO[4,5-B]PYRIDINE CONDENSEE A UN IMIDAZO, ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT CEUX-CI

  摘要：

  公开号：

  WO2004106293A3

文献信息

• Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Pitts J. William

  公开号：US20060217412A1

  公开（公告）日：2006-09-28

  The present invention provides for pyrazolopurine-based tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式(I)的嘧唑并咪唑基三环化合物，其中R1、R2、R3、R4、R5和R6如本文所述。本发明还提供了包含这些化合物的制药组合物，以及使用这些化合物治疗炎症和免疫性疾病的方法。
• Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Pitts J. William

  公开号：US20050101626A1

  公开（公告）日：2005-05-12

  The present invention provides for pyrazolopurine-based tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式（I）的吡唑嘌呤基三环化合物、 其中 R 1 , R 2 , R 3 , R 4 , R 5 和 R 6 如本文所述。本发明进一步提供了包含此类化合物的药物组合物，以及使用此类化合物治疗炎症和免疫疾病的方法。
• US7176214B2
  申请人：——

  公开号：US7176214B2

  公开（公告）日：2007-02-13