7-(4-(tert-butoxycarbonyl)-3-methylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1432044-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-(4-(tert-butoxycarbonyl)-3-methylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-N-tert-butoxycarbonyl-1-piperazinyl)-4-oxo-3-quinolincarboxylic acid；1-Ethyl-6,8-difluoro-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
• CAS: 1432044-64-8
• 化学式: C₂₂H₂₇F₂N₃O₅
• 分子量: 451.47
• InChiKey: ICMSGTCPEKVLAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.4
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-(4-(tert-butoxycarbonyl)-3-methylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 在 4-二甲氨基吡啶 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-(4-acetylphenyl)-1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
  参考文献：
  名称：

  Synthesis, cytotoxicity and topoisomerase II inhibitory activity of lomefloxacin derivatives

  摘要：

  A novel series of amide derivatives of lomefloxacin were synthesized and evaluated for their topoisomerase I and II inhibitory activity as well as cytotoxicity against a panel of five human cancer cell lines. Of the compounds prepared compounds 9d and 9g exhibited strong inhibition against topoisomerase II at 100 p,M. In addition, docking studies were performed to predict the inhibition mode. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.037
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 洛美沙星 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 7-(4-(tert-butoxycarbonyl)-3-methylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Quinolone antibiotic derivatives as new selective Axl kinase inhibitors

  摘要：

  Axl is a new promising molecular target for antineoplastic therapies. A series of quinolone antibiotic derivatives were designed and synthesized as new selective Axl inhibitors. One of the most promising compound 8i bound tightly to Axl with a K-d value of 1.1 nM, and inhibited its kinase activity with an IC50 value of 26 nM. The compound also significantly inhibited the phosphorylation of Axl and dose dependently inhibited cell invasion and migration in TGF-beta 1 induced MDA-MD-231 breast cancer cells. In addition, 8i demonstrated reasonable pharmacokinetic properties and exhibited extraordinary target selectivity over 468 kinases except for Flt3 (IC50 = 50 nM)), with a S(10) and S(35) value of 0.022 and 0.42 at 1.0 mu M, respectively. Compound 8i may serve as a new valuable lead compound for future anti-cancer drug discovery. (C) 2019 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2019.01.065

文献信息

• Nitrate salts of antimicrobial agents
  申请人：——

  公开号：US20030105066A1

  公开（公告）日：2003-06-05

  Nitrate salts of antimicrobial agents for the preparation of antimicrobial medicaments, specifically antiviral, antifungal and antibacterial medicaments.

  抗菌药物的硝酸盐，用于制备抗菌药物，特别是抗病毒、抗真菌和抗细菌药物。
• NITRATE SALTS OF ANTIMICROBIAL AGENTS
  申请人：NICOX S.A.

  公开号：EP1253924B1

  公开（公告）日：2006-04-19
• US6794372B2
  申请人：——

  公开号：US6794372B2

  公开（公告）日：2004-09-21