6-ethyl-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 | 1268476-92-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-ethyl-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-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]pyridine-2-carboxamide
• CAS: 1268476-92-1
• 化学式: C₂₆H₃₀N₄O₅
• 分子量: 478.548
• InChiKey: IYUPOQKPXAOVLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氧代戊酸甲酯 在 palladium diacetate 吡啶 、 甲酸 、 三丁基膦 、 ammonium acetate 、 水 、 sodium ethanolate 、 potassium 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 、 三乙胺 、 sodium hydroxide 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 212.0h， 生成 6-ethyl-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

• USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER
  申请人：Del Mar Pharmaceuticals

  公开号：EP3125920A2

  公开（公告）日：2017-02-08
• COMBINATION OF ANALOGS OR DERIVATIVES OF DIANHYDROGALACTITOL WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT CANCER
  申请人：Delmar Pharmaceuticals, Inc.

  公开号：EP3294284A1

  公开（公告）日：2018-03-21
• US8927718B2
  申请人：——

  公开号：US8927718B2

  公开（公告）日：2015-01-06
• [EN] USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER<br/>[FR] UTILISATION DE DIANHYDROGALACTITOL ET DE LEURS ANALOGUES OU DÉRIVÉS DANS LE TRAITEMENT DU CARCINOME NON À PETITES CELLULES DES POUMONS ET DU CANCER DES OVAIRES
  申请人：DEL MAR PHARMACEUTICALS

  公开号：WO2015154064A2

  公开（公告）日：2015-10-08

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of non-small-cell lung carcinoma (NSCLC) and ovarian cancer. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N7 methylation. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and thymidine 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.
• [EN] COMBINATION OF ANALOGS OR DERIVATIVES OF DIANHYDROGALACTITOL WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT CANCER<br/>[FR] COMBINAISON D'ANALOGUES OU DE DÉRIVÉS DE DIANHYDROGALACTITOL AVEC DES AGENTS ANTICANCÉREUX CONTENANT DU PLATINE POUR TRAITER LE CANCER
  申请人：DELMAR PHARMACEUTICALS INC

  公开号：WO2016183331A1

  公开（公告）日：2016-11-17

  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 N7 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.