4-[5-[2-[4-[6-[[5-[(2-Chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxycarbonylamino]pentylcarbamoyl]-2-(3-oxa-25-aza-9-azoniaheptacyclo[18.8.1.15,9.02,18.04,16.025,29.014,30]triaconta-1(29),2(18),4,9(30),14,16,19-heptaen-17-yl)benzoic acid

• 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: 4-[5-[2-[4-[6-[[5-[(2-Chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxycarbonylamino]pentylcarbamoyl]-2-(3-oxa-25-aza-9-azoniaheptacyclo[18.8.1.15,9.02,18.04,16.025,29.014,30]triaconta-1(29),2(18),4,9(30),14,16,19-heptaen-17-yl)benzoic acid
• 英文别名: 4-[5-[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxycarbonylamino]pentylcarbamoyl]-2-(3-oxa-25-aza-9-azoniaheptacyclo[18.8.1.15,9.02,18.04,16.025,29.014,30]triaconta-1(29),2(18),4,9(30),14,16,19-heptaen-17-yl)benzoic acid
• 化学式: C63H71ClN11O7S+
• 分子量: 1161.8
• InChiKey: KPKYEVSMVBBBLI-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  83
• 可旋转键数：
  18
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  235
• 氢给体数：
  5
• 氢受体数：
  15

文献信息

• RECOGNITION OF CELLULAR TARGET BINDING BY A BIOACTIVE AGENT USING INTRACELLULAR BIOLUMINESCENCE RESONANCE ENERGY TRANSFER
  申请人：Promega Corporation

  公开号：US20140194325A1

  公开（公告）日：2014-07-10

  The present invention provides compositions and methods for detection and analysis of intracellular binding of a bioactive agent to a cellular target. In particular, provided herein are bioactive agents tethered to fluorophores, cellular targets fused to bioluminescent reporters, and methods of detecting and analyzing the interaction of bioactive agents with cellular targets therewith.

  本发明提供了一种检测和分析生物活性物质与细胞靶标的细胞内结合的组合物和方法。特别地，本发明提供了将生物活性物质系于荧光染料，将细胞靶标融合到生物发光报告物上，并检测和分析生物活性物质与细胞靶标相互作用的方法。