3-((2-chloropyridin-4-yl)oxy)-2-iodo-6-methylpyridine | 1117686-42-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-((2-chloropyridin-4-yl)oxy)-2-iodo-6-methylpyridine
• 英文别名: 3-(2-Chloropyridin-4-yl)oxy-2-iodo-6-methyl-pyridine；3-(2-chloropyridin-4-yl)oxy-2-iodo-6-methylpyridine
• CAS: 1117686-42-6
• 化学式: C₁₁H₈ClIN₂O
• 分子量: 346.555
• InChiKey: ZCFHOXDXZOTOJH-UHFFFAOYSA-N

物化性质

• 沸点：
  379.9±42.0 °C(Predicted)
• 密度：
  1.761±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-((2-chloropyridin-4-yl)oxy)-2-iodo-6-methylpyridine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 palladium diacetate 、 sodium carbonate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 35.0h， 生成 3-(3-((4-((6-methyl-2-phenylpyridin-3-yl)oxy)pyridin-2-yl)amino)phenyl)propanoic acid
  参考文献：
  名称：

  WO2020139636A5

  摘要：

  公开号：

  WO2020139636A5
• 作为产物：
  描述：

  2,4-二氯吡啶 、 3-羟基-2-碘-6-甲基吡啶 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以100%的产率得到3-((2-chloropyridin-4-yl)oxy)-2-iodo-6-methylpyridine
  参考文献：
  名称：

  CHEMICAL COMPOUNDS-821

  摘要：

  该发明涉及化学式(I)的化合物，或其药学上可接受的盐，具有ALK5（TGFβR1）抑制活性，因此在抗癌活性方面有用，从而在治疗人体或动物体的方法中有用。该发明还涉及制造上述化学化合物的方法，含有它们的药物组合物，以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物中的使用。

  公开号：

  US20090048269A1

文献信息

• [EN] HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS MÉTHODES D'UTILISATION
  申请人：INVENTISBIO SHANGHAI LTD

  公开号：WO2020258006A1

  公开（公告）日：2020-12-30

  Provided herein are novel heterocyclic compounds, for example, compounds having Formula I. Also provided herein are methods of preparing the compounds and methods of using the same, for example, in inhibiting TGF-beta mediated signaling and/or for treating cancer.

  本文提供了新颖的杂环化合物，例如具有化学式I的化合物。本文还提供了制备这些化合物的方法以及使用它们的方法，例如用于抑制TGF-beta介导的信号传导和/或治疗癌症。
• Rapid Generation of a High Quality Lead for Transforming Growth Factor-β (TGF-β) Type I Receptor (ALK5)
  作者：Frederick W. Goldberg、Richard A. Ward、Steven J. Powell、Judit É. Debreczeni、Richard A. Norman、Nicola J. Roberts、Allan P. Dishington、Helen J. Gingell、Kate F. Wickson、Andrew L. Roberts

  DOI：10.1021/jm900807w

  日期：2009.12.10

  A novel class of 4-pyridinoxy-2-anilinopyridine-based TGF-beta type I receptor (also known as activin-like kinase 5 or ALK5) inhibitors is reported. The binding mode of this scaffold was successfully predicted by analyzing possible docked binding modes of literature inhibitors and novel synthetic ideas. Compounds such as 19 are potent ALK5 inhibitors with good physicochemical and pharmacokinetic properties and thus represent high quality leads for further optimization.
• (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Nexys Therapeutics, Inc.

  公开号：EP3902796A1

  公开（公告）日：2021-11-03
• HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF
  申请人：INVENTISBIO SHANGHAI LTD.

  公开号：US20210017187A1

  公开（公告）日：2021-01-21

  Provided herein are novel heterocyclic compounds, for example, compounds having Formula I. Also provided herein are methods of preparing the compounds and methods of using the same, for example, in inhibiting TGF-beta mediated signaling and/or for treating cancer.
• [EN] PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS<br/>[FR] COMPOSÉS CHIMIQUES 1 - 821
  申请人：ASTRAZENECA AB

  公开号：WO2009022171A1

  公开（公告）日：2009-02-19

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess ALK5 (TGFβRl) inhibitory activity and are accordingly useful for their anti-cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an anti¬ cancer effect in a warm-blooded animal such as man.