4-(4-Cyanobenzoyl)-N-[3-(dimethylamino)propyl]benzeneacetamide | 207113-18-6

• 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: 4-(4-Cyanobenzoyl)-N-[3-(dimethylamino)propyl]benzeneacetamide
• 英文别名: 2-[4-(4-cyanobenzoyl)phenyl]-N-[3-(dimethylamino)propyl]acetamide
• CAS: 207113-18-6
• 化学式: C₂₁H₂₃N₃O₂
• 分子量: 349.433
• InChiKey: CUWDZWAJVFCAHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[4-(4-cyanobenzoyl)phenyl]acetic acid 在 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 4-(4-Cyanobenzoyl)-N-[3-(dimethylamino)propyl]benzeneacetamide
  参考文献：
  名称：

  p -Cyano substituted benzophenone as an excellent photophore for one-electron oxidation of DNA

  摘要：

  Novel DNA-photocleaving molecule 1 consisting of a p-cyano substituted benzophenone photophore and an alkyl amino side chain was developed. DNA cleavage by 1 under photoirradiation conditions occurred selectively at 5' side G of 5'GG3' sequence after hot piperidine treatment. Photoirradiation of deoxyguanosine at 312 nm in the presence of 1 efficiently produced imidazolone as a predominant product. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00337-2

文献信息

• p -Cyano substituted benzophenone as an excellent photophore for one-electron oxidation of DNA
  作者：Kazuhiko Nakatani、Chikara Dohno、Takashi Nakamura、Isao Saito

  DOI：10.1016/s0040-4039(98)00337-2

  日期：1998.4

  Novel DNA-photocleaving molecule 1 consisting of a p-cyano substituted benzophenone photophore and an alkyl amino side chain was developed. DNA cleavage by 1 under photoirradiation conditions occurred selectively at 5' side G of 5'GG3' sequence after hot piperidine treatment. Photoirradiation of deoxyguanosine at 312 nm in the presence of 1 efficiently produced imidazolone as a predominant product. (C) 1998 Elsevier Science Ltd. All rights reserved.