N-[4-[(Z)-[5-[5-[[benzyl(methyl)amino]methyl]-1,2-dihydrotriazol-3-yl]-1H-pyrrol-2-yl]-[5-(2,6-dimethylmorpholin-4-yl)pyrrol-2-ylidene]methyl]phenyl]acetamide

• 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: N-[4-[(Z)-[5-[5-[[benzyl(methyl)amino]methyl]-1,2-dihydrotriazol-3-yl]-1H-pyrrol-2-yl]-[5-(2,6-dimethylmorpholin-4-yl)pyrrol-2-ylidene]methyl]phenyl]acetamide
• 化学式: C₃₄H₄₀N₈O₂
• 分子量: 592.7
• InChiKey: WBZRWVVIVSOWCE-BVNFUTIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  100
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• [EN] MEGASTOKES AMINO-TRIAZOLYL-BODIPY COMPOUNDS AND APPLICATIONS TO LIVE NEURON STAINING AND HUMAN SERUM ALBUMIN FA1 DRUG SITE PROBING<br/>[FR] COMPOSÉS AMINO-TRIAZOLYL-BODIPY À MÉGADÉPLACEMENT DE STOKES ET APPLICATIONS DE COLORATION DE NEURONES VIVANTS ET SONDAGE DE SITES MÉDICAMENTEUX D'ACIDE GRAS 1 D'ALBUMINE SÉRIQUE HUMAINE
  申请人：UNIV SINGAPORE

  公开号：WO2014104975A1

  公开（公告）日：2014-07-03

  A library of novel amino-triazolyl-BODIPY compounds is described. Particular compounds of the library serve as selective fluorescent probes Human Serum Albumin (HSA) and for live primary neurons. The fluorescent probe for HSA binds uniquely and specifically to the fatty acid site 1 of HSA, and thus proves a valuable and unique probe for drugs that bind to such a site on HSA. Methods of synthesis for the library compounds are also described.