N-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
• 英文别名: MB1_B_019074A-1；MMV019074；N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,4-dimethoxybenzamide
• 化学式: C₂₅H₃₀N₄O₃
• 分子量: 434.538
• InChiKey: YGHVMEYBSUHIGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(4-ethylpiperazin-1-yl)-4-methyl-6-nitroquinoline 在 palladium 10% on activated carbon 、 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 49.0h， 生成 N-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
  参考文献：
  名称：

  Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors

  摘要：

  In order to discover novel Hsp90 inhibitors targeting the C-terminal ATP binding pocket, a novobiocin derivative based ROCS model was constructed for virtual screening. Compound 13 was identified as the lead compound and then systematical structure activity relationship (SAR) study was conducted. These efforts led to compound 69, which exhibited potent anti-proliferative activities against MCF7 and SKBr3 breast cancer cell lines. In 4T1 mice breast cancer models, 69 exhibited potent tumor growth inhibition and anti-metastasis effect. Compound 69 as a potent antitumor agent targeting the Hsp90 C-terminal is worthy of further pre-clinical study. (C) 2017 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2017.07.080

文献信息

• Quinoline compounds for use in mch receptor related disorders
  申请人：Frimurer Michael Thomas

  公开号：US20060111357A1

  公开（公告）日：2006-05-25

  The present invention relates to the use of quinoline compounds for the preparation of a pharmaceutical and/or a cosmetic composition for the treatment, prophylaxis and/or diagnosis of a condition caused by or involving a melanin-concentrating hormone. The invention also relates to novel quinoline compounds per se. The quinoline compounds have been found to interact with a melanin-concentrating hormone receptor, a MCH receptor. The compounds have modulating activity on the MCH receptor such as e.g. antagonistic, agonistic or allosteric activity and are useful for medicinal or cosmetic purposes such as, e.g. in the treatment or prevention of feeding disorders like obesity, metabolic syndrome, Type II diabetes, bulimia, etc. or in the treatment or prevention of depression.

  本发明涉及使用喹啉化合物制备用于治疗、预防和/或诊断由或涉及黑色素浓缩激素引起的疾病的药物和/或化妆品组合物。本发明还涉及新型喹啉化合物本身。已发现喹啉化合物与黑色素浓缩激素受体（MCH受体）相互作用。该化合物对MCH受体具有调节活性，例如拮抗、激动或异构活性，并可用于药用或化妆品用途，例如治疗或预防饮食障碍，如肥胖症、代谢综合征、2型糖尿病、贪食症等，或治疗或预防抑郁症。
• QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS
  申请人：7TM Pharma A/S

  公开号：EP1572212A2

  公开（公告）日：2005-09-14
• [EN] QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS<br/>[FR] UTILISATION DE COMPOSES DE LA QUINOLINE POUR TRAITER DES TROUBLES LIES AU RECEPTEUR MCH
  申请人：7TM PHARMA AS

  公开号：WO2004052370A2

  公开（公告）日：2004-06-24

  The present invention relates to the use of quinoline compounds for the preparation of a pharmaceutical and/or a cosmetic composition for the treatment, prophylaxis and/or diagnosis of a condition caused by or involving a melanin-concentrating hormone. The invention also relates to novel quinoline compounds per se. The quinoline compounds have been found to interact with a melanin-concentrating hormone receptor, a MCH receptor. The compounds have modulating activity on the MCH receptor such as e.g. antagonistic, agonistic or allosteric activity and are useful for medicinal or cosmetic purposes such as, e.g. in the treatment or prevention of feeding disorders like obesity, metabolic syndrome, Type II diabetes, bulimia, etc. or in the treatment or prevention of depression.
• Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors
  作者：Fen Jiang、An-ping Guo、Jia-cheng Xu、Hui-Jie Wang、Xiao-fei Mo、Qi-Dong You、Xiao-Li Xu

  DOI：10.1016/j.ejmech.2017.07.080

  日期：2017.12

  In order to discover novel Hsp90 inhibitors targeting the C-terminal ATP binding pocket, a novobiocin derivative based ROCS model was constructed for virtual screening. Compound 13 was identified as the lead compound and then systematical structure activity relationship (SAR) study was conducted. These efforts led to compound 69, which exhibited potent anti-proliferative activities against MCF7 and SKBr3 breast cancer cell lines. In 4T1 mice breast cancer models, 69 exhibited potent tumor growth inhibition and anti-metastasis effect. Compound 69 as a potent antitumor agent targeting the Hsp90 C-terminal is worthy of further pre-clinical study. (C) 2017 Published by Elsevier Masson SAS.