ethyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylate | 1399298-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylate
• 英文别名: ethyl 4,5-dibromo-1-methylpyrrole-2-carboxylate
• CAS: 1399298-29-3
• 化学式: C₈H₉Br₂NO₂
• 分子量: 310.973
• InChiKey: DJLUSPYAIWJBPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylate 在 四(三苯基膦)钯 、 sodium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 7.0h， 生成 (R)-tert-butyl 1-(3-(4-cyanophenyl)-1-methyl-2-p-tolyl-1H-pyrrole-5-carbonyl)piperidin-3-ylcarbamate
  参考文献：
  名称：

  [EN] INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1
  [FR] INHIBITEURS DE LA DÉMÉTHYLASE 1 SPÉCIFIQUE DE LA LYSINE

  摘要：

  本发明通常涉及用于治疗癌症和肿瘤疾病的组合物和方法。本文提供了替代杂环衍生物化合物和包含该化合物的制药组合物。所述化合物和组合物对于抑制赖氨酸特异性去甲基化酶-1具有用途。此外，所述化合物和组合物对于治疗癌症，例如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等具有用途。

  公开号：

  WO2016004105A1
• 作为产物：
  描述：

  2-烯丙基-3,6-二甲氧基苯酚 、 碘甲烷 在 sodium hydride 作用下， 反应 12.0h， 生成 ethyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Indirect C–H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ³-Iodanes

  摘要：

  A C-H bond of electron-rich heterocycles is transformed into a C-N bond in a reaction sequence comprising the formation of heteroaryl(phenyl)iodonium azides and their in situ regioselective fragmentation to heteroaryl azides. A Cu(I) catalyst ensures complete regiocontrol in the fragmentation step and catalyzes the subsequent 1,3-dipolar cycloaddition of the formed azido heterocycles with acetylenes. The heteroaryl azides can also be conveniently reduced to heteroarylamines by aqueous ammonium sulfide. The overall C-H to C-N transformation is a mild and operationally simple one-pot sequential multistep process.

  DOI：

  10.1021/ja305574k

文献信息

• Inhibitors of lysine specific demethylase-1
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US10414750B2

  公开（公告）日：2019-09-17

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. 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杂环衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制赖氨酸特异性去甲基化酶-1。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。
• Inhibitor of lysine specific demethylase-1
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US10626103B2

  公开（公告）日：2020-04-21

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. 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杂环衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制赖氨酸特异性去甲基化酶-1。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。
• INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1
  申请人：Celgene Quanticel Research, Inc.

  公开号：EP3164509A1

  公开（公告）日：2017-05-10
• INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US20190194161A1

  公开（公告）日：2019-06-27

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. 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.