3-碘-6-甲氧基-1-甲基-1H-吲唑 | 1431163-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 3-碘-6-甲氧基-1-甲基-1H-吲唑
• 英文名称: 3-iodo-6-methoxy-1-methyl-1H-indazole
• 英文别名: 3-Iodo-6-methoxy-1-methyl-1H-indazole；3-iodo-6-methoxy-1-methylindazole
• CAS: 1431163-17-5
• 化学式: C₉H₉IN₂O
• 分子量: 288.088
• InChiKey: WPEGXAAVEVXKBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-碘-6-甲氧基-1-甲基-1H-吲唑 在 isopropyl magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 生成 6-Methoxy-1-methyl-3-(tributylstannyl)-1H-indazole
  参考文献：
  名称：

  Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome

  摘要：

  Using a structure based design approach we have identified a series of indazole substituted pyrrolopyrazines, which are potent inhibitors of JAK3. Intramolecular electronic repulsion was used as a strategy to induce a strong conformational bias within the ligand. Compounds bearing this conformation participated in a favorable hydrophobic interaction with a cysteine residue in the JAK3 binding pocket, which imparted high selectivity versus the kinome and improved selectivity within the JAK family. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.02.012
• 作为产物：
  描述：

  6-甲氧基-1H-吲唑 在 potassium tert-butylate 、 碘 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-碘-6-甲氧基-1-甲基-1H-吲唑
  参考文献：
  名称：

  Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome

  摘要：

  Using a structure based design approach we have identified a series of indazole substituted pyrrolopyrazines, which are potent inhibitors of JAK3. Intramolecular electronic repulsion was used as a strategy to induce a strong conformational bias within the ligand. Compounds bearing this conformation participated in a favorable hydrophobic interaction with a cysteine residue in the JAK3 binding pocket, which imparted high selectivity versus the kinome and improved selectivity within the JAK family. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.02.012

文献信息

• HISTONE DEMETHYLASE INHIBITORS
  申请人：Quanticel Pharmaceuticals, Inc.

  公开号：US20140171432A1

  公开（公告）日：2014-06-19

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted 3-aminopyridine derivative compounds, substituted 3-aminopyridazine derivative compounds, and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了替代的3-氨基吡啶衍生物化合物，替代的3-氨基吡啶嗪衍生物化合物，以及包含所述化合物的药物组合物。所述化合物和组合物对于抑制组蛋白去甲基化酶是有用的。此外，所述化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等是有用的。
• Histone demethylase inhibitors
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US10040779B2

  公开（公告）日：2018-08-07

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted 3-aminopyridine derivative compounds, substituted 3-aminopyridazine derivative compounds, and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本发明提供了取代的 3-氨基吡啶衍生物化合物、取代的 3-氨基哒嗪衍生物化合物以及包含上述化合物的药物组合物。这些化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物还可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。
• US8969343B2
  申请人：——

  公开号：US8969343B2

  公开（公告）日：2015-03-03
• US9617242B2
  申请人：——

  公开号：US9617242B2

  公开（公告）日：2017-04-11
• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS D'HISTONE DÉMÉTHYLASE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2014100463A1

  公开（公告）日：2014-06-26

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted 3-aminopyridine derivative compounds, substituted 3-aminopyridazine derivative compounds, and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.