N-(2-{4-[cyclohexylidene-(4-hydroxyphenyl)-methyl]-phenoxy}-ethyl)-4-(3,10-dihydroxy-benz[c]xanthene-7-yl)-3-methyl-benzamide | 1069132-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(2-{4-[cyclohexylidene-(4-hydroxyphenyl)-methyl]-phenoxy}-ethyl)-4-(3,10-dihydroxy-benz[c]xanthene-7-yl)-3-methyl-benzamide
• 英文别名: N-[2-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenoxy]ethyl]-4-(10-hydroxy-3-oxobenzo[c]xanthen-7-yl)-3-methylbenzamide
• CAS: 1069132-98-4
• 化学式: C₄₆H₃₉NO₆
• 分子量: 701.819
• InChiKey: PQNZFPAHNCYAIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-((4-(2-aminoethoxy)phenyl)(cyclohexylidene)methyl)phenol 、 (3,10-dihydroxy-benz[c]xanthene-7-yl)-4-carboxy-2-methylbenzene 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 DPTS 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 N-(2-{4-[cyclohexylidene-(4-hydroxyphenyl)-methyl]-phenoxy}-ethyl)-4-(3,10-dihydroxy-benz[c]xanthene-7-yl)-3-methyl-benzamide
  参考文献：
  名称：

  Nonclassical SNAPFL Analogue as a Cy5 Resonance Energy Transfer Partner

  摘要：

  We have synthesized a new SNAPFL analogue (1) that exhibits a large Stokes shift (78 nm) (abs. 542 nm, em. 620 nm) and a good quantum yield. Because of the large overlap between the emission spectrum of 1 and the absorption spectrum of Cy5, 1 functions well as a fluorescence donor to Cy5 and has been used in FRET-based experiments using estrogen receptor site-specifically labeled with Cy5 and a receptor ligand conjugated to SNAPFL.

  DOI：

  10.1021/ol801907b

文献信息

• Nonclassical SNAPFL Analogue as a Cy5 Resonance Energy Transfer Partner
  作者：Sung Hoon Kim、Jillian R. Gunther、John A. Katzenellenbogen

  DOI：10.1021/ol801907b

  日期：2008.11.6

  We have synthesized a new SNAPFL analogue (1) that exhibits a large Stokes shift (78 nm) (abs. 542 nm, em. 620 nm) and a good quantum yield. Because of the large overlap between the emission spectrum of 1 and the absorption spectrum of Cy5, 1 functions well as a fluorescence donor to Cy5 and has been used in FRET-based experiments using estrogen receptor site-specifically labeled with Cy5 and a receptor ligand conjugated to SNAPFL.