4,4-((1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(oxy))dibenzaldehyde | 1301627-11-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,4-((1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(oxy))dibenzaldehyde
• 英文别名: 4-[3-(4-Formylphenoxy)-1,4-dioxonaphthalen-2-yl]oxybenzaldehyde
• CAS: 1301627-11-1
• 化学式: C₂₄H₁₄O₆
• 分子量: 398.372
• InChiKey: LZPUFLGRTDCKSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] 1,4-QUINONES AND THEIR SULFUR ANALOGUES USEFUL AS LIGANDS OF N-ACETYLTRANSFERASES<br/>[FR] 1,4-QUINONES ET LEURS ANALOGUES SOUFRÉS UTILES EN TANT QUE LIGANDS DE N-ACÉTYLTRANSFÉRASES
  申请人：ISIS INNOVATION

  公开号：WO2011055142A2

  公开（公告）日：2011-05-12

  The invention provides 1,4-quinones, 1,4-naphthoquinones and their sulphur analogues as inhibitors of hNAT1, an enzyme which is both a diagnostic marker and drug target for breast cancer. Some of the compounds of the invention are also chromogenic in the presence of hNAT1. The compounds of the invention are used for detecting for and/or measuring hNAT1 and for inhibiting hNAT1 in the treatment of disease.