2-[bis(2-hydroxyethyl)amino]-3,5-dinitro-N-[2-(tetrahydro-2H-pyran-2-yloxy)propyl]benzamide | 680199-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[bis(2-hydroxyethyl)amino]-3,5-dinitro-N-[2-(tetrahydro-2H-pyran-2-yloxy)propyl]benzamide
• 英文别名: 2-[bis(2-hydroxyethyl)amino]-3,5-dinitro-N-[2-(oxan-2-yloxy)propyl]benzamide
• CAS: 680199-33-1
• 化学式: C₁₉H₂₈N₄O₉
• 分子量: 456.453
• InChiKey: FVRWJAKPQVYGJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-chloro-3,5-dinitro-N-[2-(tetrahydro-2H-pyran-2-yloxy)propyl]benzamide 、 二乙醇胺 以above gave 2-[bis(2-hydroxyethyl)amino]-3,5-dinitro-N-[2-(tetrahydro-2H-pyran-2-yloxy)propyl]benzamide (22) (1.62 g, 95%)的产率得到2-[bis(2-hydroxyethyl)amino]-3,5-dinitro-N-[2-(tetrahydro-2H-pyran-2-yloxy)propyl]benzamide
  参考文献：
  名称：

  Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents

  摘要：

  本发明涉及新型的硝基苯基芥和硝基苯基环氧丙烷醇，它们对应的磷酸盐，以及它们作为靶向细胞毒性药物的使用；作为缺氧肿瘤中的生物还原药物，并结合硝酸还原酶酶使用于细胞消融，包括基因定向酶前药物治疗（GDEPT）和抗体定向酶前药物治疗（ADEPT）。

  公开号：

  US20100010094A1

文献信息

• [EN] NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS<br/>[FR] AGENTS D'ALKYLATION A BASE DE NITROANILINE ET LEUR UTILISATION EN TANT QUE PROMEDICAMENTS
  申请人：AUCKLAND UNISERVICES LTD

  公开号：WO2004033415A1

  公开（公告）日：2004-04-22

  Nitroaniline-based unsymmetrical mustards of the general formula (I) are provided, together with methods of preparation and methods for their use as produgs for gene-dependent enzyme prodrug therapy (GDEPT) and cell ablation therapy in conjuction with nitroreductase enzymes as hypoxia selective cytotoxins and as anticancer agents.

  基于硝基苯胺的不对称芥末化合物，其通用公式为（I），以及它们的制备方法和使用方法，作为基因依赖性酶前药治疗（GDEPT）和与硝基还原酶酶结合的细胞消融治疗的药物，以及作为缺氧选择性细胞毒素和抗癌药物的使用方法。
• Nitroaniline-based alkylating agents and their use as prodrugs
  申请人：Denny Alexander William

  公开号：US20050256191A1

  公开（公告）日：2005-11-17

  Nitroaniline-based unsymmetrical mustards of the general formula (I) are provided, together with methods of preparation and methods for their use as prodrugs for gene-dependent enzyme prodrug therapy (GDEPT) and cell ablation therapy in conjunction with nitroreductase enzymes as hypoxia selective cytotoxins and as anticancer agents.

  提供了基于硝基苯胺的不对称芥子气的一般式（I），以及其制备方法和用作基因依赖性酶前药治疗（GDEPT）和细胞消融治疗的前药的方法，与硝酸还原酶酶一起使用作为缺氧选择性细胞毒素和抗癌剂。
• Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents
  申请人：Auckland Uniservices Limited

  公开号：US07629332B2

  公开（公告）日：2009-12-08

  The present invention relates to a novel nitrophenyl mustard and nitrophenylaziridine alcohols, to their corresponding phosphates, to their use as targeted cytotoxic agents; as bioreductive drugs in hypoxic tumors, and to their use in cell ablation, including gene-directed enzyme-prodrug therapy (GPEPT) and antibody-directed enzymeprodrug therapy (ADEPT), in conjunction with nitroreductase enzymes.

  本发明涉及一种新型的硝基苯基芥和硝基苯基环丙烷醇，以及它们对应的磷酸酯，它们作为靶向细胞毒性药物的用途；作为低氧肿瘤中的生物还原药物，并结合硝酸还原酶酶使用于细胞消融，包括基因定向酶前药治疗（GPEPT）和抗体定向酶前药治疗（ADEPT）。
• Compositions and methods for deploying a transgenic refuge as a seed blend
  申请人：Head Graham

  公开号：US10036036B1

  公开（公告）日：2018-07-31

  Methods and compositions for deploying refuge seeds together with transgenic crop seeds are provided. The refuge seeds can be non-transgenic seeds of a similar variety to that of the transgenic crop seeds, or the refuge seeds can be a transgenic variety, but in either case lacking a transgenic trait conferring pest protection found in the transgenic crop seeds.

  本文提供了将避难种子与转基因作物种子一起播种的方法和组合物。保护种子可以是与转基因作物种子品种相似的非转基因种子，或者保护种子可以是转基因品种，但无论哪种情况，都缺乏转基因作物种子中具有害虫保护功能的转基因性状。
• Proteins toxic to Hemipteran insect species
  申请人：Monsanto Technology LLC

  公开号：US10188115B2

  公开（公告）日：2019-01-29

  The present invention discloses Hemipteran insect inhibitory proteins, methods of using such proteins, nucleotide sequences encoding such proteins, methods of detecting and isolating such proteins, and their use in agricultural systems.

  本发明公开了半翅目昆虫抑制蛋白、使用这种蛋白的方法、编码这种蛋白的核苷酸序列、检测和分离这种蛋白的方法以及它们在农业系统中的用途。