6-ethyl-3-(ethylamino)-N-[1-(hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide | 1268476-76-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-ethyl-3-(ethylamino)-N-[1-(hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• 英文别名: 6-ethyl-3-(ethylamino)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]pyridine-2-carboxamide
• CAS: 1268476-76-1
• 化学式: C₂₈H₃₅N₅O₅
• 分子量: 521.616
• InChiKey: VIAFBRKZWWWJKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 6-ethyl-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 5%-palladium/activated carbon 吡啶 、 盐酸 、 甲醇 、 氢气 、 potassium carbonate 、 1-羟基苯并三唑 、 caesium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 174.5h， 生成 6-ethyl-3-(ethylamino)-N-[1-(hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
  参考文献：
  名称：

  FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF

  摘要：

  公开号：

  EP2471791B1

文献信息

• Fused heterocyclic ring derivative and use thereof
  申请人：Sasaki Satoshi

  公开号：US08927718B2

  公开（公告）日：2015-01-06

  The present invention provides a fused heterocycle derivative having a strong Smo inhibitory activity, and use thereof. Specially, the present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or salt thereof, and a medicament containing the compound or a prodrug thereof, which is an Smo inhibitor or an agent for the prophylaxis or treatment of cancer.

  本发明提供了一种具有强Smoo抑制活性的融合杂环衍生物及其使用。特别地，本发明涉及一种由式子表示的化合物，其中每个符号如规范所定义，或其盐，以及含有该化合物或其前药的药物，该药物是Smoo抑制剂或预防或治疗癌症的药物。
• EP3125920B1
  申请人：——

  公开号：EP3125920B1

  公开（公告）日：2020-12-23
• USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES
  申请人：Del Mar Pharmaceuticals

  公开号：US20160008316A1

  公开（公告）日：2016-01-14

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of non-small-cell lung carcinoma (NSCLC) and ovarian cancer, as well as other types of malignancy, including brain metastases of NSCLC. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents and can possess additive or super-additive effects.
• USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES
  申请人：BACHA Jeffrey

  公开号：US20180140571A1

  公开（公告）日：2018-05-24

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of non-small-cell lung carcinoma (NSCLC) and ovarian cancer, as well as other types of malignancy, including brain metastases of NSCLC. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents and can possess additive or super-additive effects.
• US8927718B2
  申请人：——

  公开号：US8927718B2

  公开（公告）日：2015-01-06