4,4'-Bipyridinium, 1-[11-(9-acridinyl)undecyl]-1'-butyl-, dibromide | 467419-13-2

• 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: 4,4'-Bipyridinium, 1-[11-(9-acridinyl)undecyl]-1'-butyl-, dibromide
• 英文别名: 9-[11-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]undecyl]acridine;dibromide
• CAS: 467419-13-2
• 化学式: C38H47Br2N3
• 分子量: 705.6
• InChiKey: CCXWTGZIHFQVEC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  43
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  20.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Viologen linked acridine based molecule and process for the preparation thereof
  申请人：COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH of India

  公开号：US20030045538A1

  公开（公告）日：2003-03-06

  The present invention provides a series of novel bifunctional molecules based on viologen linked acridine, bisacridine and bisacridinium salts of the general formula 1 (1a, 1b, 1c and 1d) and or pharmaceutically acceptable derivatives thereof, which can be used as phototherapeutic and catalytic photoactivated DNA cleaving agents. These molecules are very stable and exhibit high solubility in buffer at physiological conditions. They undergo strong binding with DNA through intercalation and groove binding interactions and show remarkably high affinity for poly(dA).poly(dT) sequences. Upon photoactivation, they cleave DNA catalytically and selectively at guanine (G) sites in duplex DNA exclusively through cosensitization mechanism with a preference for 5′-G over 3′-G. They induce unusally high specificity of cleavage at G site of the AG two base bulge sequences. Accordingly, the viologen linked acridine based molecules described herein are extremely useful as probes for DNA structures and catalytic photoactivated DNA cleaving agents in biological applications.

  本发明提供了一系列基于紫罗兰联结的吖啶、双吖啶和双吖啶盐的新型双功能分子，其通式为1（1a、1b、1c和1d），以及其药学上可接受的衍生物。这些分子可用作光治疗和催化光活化DNA切割剂。这些分子非常稳定，在生理条件下缓冲液中具有高溶解度。它们通过插入和沟槽结合相互作用与DNA发生强烈的结合，并对poly（dA）.poly（dT）序列表现出极高的亲和力。在光活化下，它们通过与共感光敏机制，在双链DNA中选择性地催化并专一地切割鸟嘌呤（G）位点，对5'-G优先于3'-G。它们在AG两个碱基突起序列的G位点诱导了异常高的切割特异性。因此，本文所述的基于紫罗兰联结的吖啶分子在生物应用中极为有用，可用作DNA结构的探针和催化光活化DNA切割剂。
• VIOLOGEN LINKED ACRIDINE BASED MOLECULE AND PROCESS FOR THE PREPARATION THEREOF
  申请人：COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH

  公开号：EP1373250B1

  公开（公告）日：2006-08-30
• US6630481B2
  申请人：——

  公开号：US6630481B2

  公开（公告）日：2003-10-07