RB6145 | 131504-96-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: RB6145
• 英文别名: alpha-[[(2-bromoethyl)amino]methyl]-2-nitro-1H-imidazole-1-ethanol；1-(2-nitro-1-imidazolyl)-3-(2-bromoethylamino)-2-propanol；1-(2-Bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol
• CAS: 131504-96-6
• 化学式: C₈H₁₃BrN₄O₃
• 分子量: 293.12
• InChiKey: TYHFGYCQFVYKHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment
  申请人：BRITISH TECHNOLOGY GROUP LIMITED

  公开号：EP0319329A2

  公开（公告）日：1989-06-07

  A compound for treating a patient having a solid tumour in which it is known or suspected that hypoxic cells are present, which is a compound of formula (A): wherein X represents a nitro-substituted aromatic or hetero-aromatic group with a one-electron reduction potential at pH 7 of from -250 to -500 mV; each of R′₁ to R′₅ independently represents hydrogen or an alkyl, hydroxyalkyl, aryl, aralkyl or alkaryl group; m is 0 or 1; n is 1 or 2; and Z′ represents a leaving group which has the potential for expulsion via an intramolecular cyclisation reaction; or a physiologically acceptable acid addition salt thereof.

  一种用于治疗已知或怀疑存在缺氧细胞的实体瘤患者的化合物，它是式(A)化合物： 其中 X 代表硝基取代的芳香族或杂芳香族基团，在 pH 7 下的一电子还原电位为 -250 至 -500 mV；R′₁ 至 R′₅各自独立地代表氢或烷基、羟烷基、芳基、芳烷基或烷芳基；m 为 0 或 1；n 为 1 或 2；Z′代表有可能通过分子内环化反应排出的离去基团；或其生理学上可接受的酸加成盐。
• A new process for the synthesis of novel and known nitroimidazoles which are useful as sensitizing agents
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0375951A1

  公开（公告）日：1990-07-04

  The present invention is novel nitroimidazoles useful as radiosensitizing or chemosensitizing agents in the treatment of hypoxic tumor cells. Also, the present invention is a novel process for preparing both known and novel nitroimidazoles having novel intermediates. The process advantageously reduces the number of process steps, provides increased yield with both greater safety and greater control of stereoisomerism in the products.

  本发明是新型硝基咪唑，可用作治疗缺氧性肿瘤细胞的放射增敏剂或化疗增敏剂。此外，本发明是一种新型工艺，用于制备具有新型中间体的已知和新型硝基咪唑。该工艺的优点是减少了工艺步骤的数量，提高了产率，同时提高了安全性，并能更好地控制产品的立体异构性。
• 5-(Aziridin-1-yl)-4-hydroxylamino-2-nitrobenzamide and its use in medicine
  申请人：Morvus Technology Ltd.

  公开号：EP2258430A2

  公开（公告）日：2010-12-08

  There is provided 5-(aziridin-1-yl)-4-hydroxylamino-2-nitrobenzamide for various uses, as well as pharmaceutical compositions and devices comprising 5-(aziridin-1-yl)-4-hydroxylamino-2-nitrobenzamide. There is also provided a method for reducing reducible compounds (such as reduction-activated prodrugs, e.g. tretazicar) by contacting those compounds with α-hydroxycarbonyl compounds capable of forming cyclic dimers.

  提供了用于各种用途的 5-(氮丙啶-1-基)-4-羟基氨基-2-硝基苯甲酰胺，以及包含 5-(氮丙啶-1-基)-4-羟基氨基-2-硝基苯甲酰胺的药物组合物和装置。本发明还提供了一种还原可还原化合物（如还原活化原药，如曲他西卡）的方法，该方法是将这些化合物与能够形成环状二聚体的α-羟基羰基化合物接触。
• Bacterial nitroreductase enzymes and methods relating thereto
  申请人：Guise Christopher Paul

  公开号：US10357577B2

  公开（公告）日：2019-07-23

  The invention relates generally to bacterial nitroreductase enzymes and methods of use thereof: more particularly, although not exclusively, the enzymes have use in non-invasive imaging techniques, monitoring of therapeutic cell populations and gene-directed enzyme prodrug therapy. The invention also relates to the use of bacterial nitroreductase enzymes in radioimaging and/or ablation of biological agents and to compositions of use in such methods.

  本发明一般涉及细菌硝基还原酶及其使用方法：更具体地说，尽管不完全是，这种酶可用于非侵入性成像技术、治疗细胞群监测和基因导向酶原药治疗。本发明还涉及细菌硝基还原酶在放射成像和/或生物制剂消融中的应用，以及在此类方法中的使用组合物。
• Use of alpha-hydroxy carbonyl compounds as reducing agents
  申请人：Morvus Technology Ltd

  公开号：US10398676B2

  公开（公告）日：2019-09-03

  There is provided the use as reducing agents of alpha-hydroxycarbonyl compounds capable of forming cyclic dimers. There is also provided corresponding methods of reducing reducible compounds, particularly reduction-activated prodrugs. Examples of the alpha-hydroxycarbonyl compounds used are dihydroxyacetone, glycolaldehyde, glyceraldehyde, erythrose, xylulose, erythrulose or 3-hydroxy-2-butanone.

  提供了能够形成环状二聚体的α-羟基羰基化合物作为还原剂的用途。还提供了相应的还原可还原化合物，特别是还原活化原药的方法。所使用的α-羟基羰基化合物的例子有二羟基丙酮、乙醛、甘油醛、赤藓糖醇、木糖、赤藓糖醇或 3-羟基-2-丁酮。