[3-[3'-Methoxy-1-[[3'-methoxy-3,7-dimethyl-3'-(3-phosphonooxyphenyl)spiro[bicyclo[3.3.1]nonane-4,4'-dioxetane]-1-yl]oxymethoxy]spiro[adamantane-4,4'-dioxetane]-3'-yl]phenyl] dihydrogen phosphate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: [3-[3'-Methoxy-1-[[3'-methoxy-3,7-dimethyl-3'-(3-phosphonooxyphenyl)spiro[bicyclo[3.3.1]nonane-4,4'-dioxetane]-1-yl]oxymethoxy]spiro[adamantane-4,4'-dioxetane]-3'-yl]phenyl] dihydrogen phosphate
• 英文别名: [3-[3'-methoxy-1-[[3'-methoxy-3,7-dimethyl-3'-(3-phosphonooxyphenyl)spiro[bicyclo[3.3.1]nonane-4,4'-dioxetane]-1-yl]oxymethoxy]spiro[adamantane-4,4'-dioxetane]-3'-yl]phenyl] dihydrogen phosphate
• 化学式: C₃₈H₅₀O₁₆P₂
• 分子量: 824.7
• InChiKey: VRNQEZNUFHONKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  207
• 氢给体数：
  4
• 氢受体数：
  16

文献信息

• NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES
  申请人：Giri Brij Pal

  公开号：US20140121362A1

  公开（公告）日：2014-05-01

  New chemiluminescent compounds, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and 1,2-dioxetanes. Among the new acridane-based compounds are water-soluble acridanes, enhancer coupled acridanes, bis and tris-acridanes as well as acridane-1,2-dioxetanes. Among the new 1,2-dioxetanes are electron deficient group-containing dioxetanes and tethered bis-1,2-dioxetanes. The 1,2-dioxetanes are useful as substrates for various enzymes. The acridanes can be admixed with an oxidizing agent. an aqueous buffer and, optionally, a stabilizer to form a substrate or reagent formulation useful for assaying, inter alia, HRP.

  新的化学发光化合物，稳定在水溶液缓冲液中，用于生物检测，包括基于蒽醌的化合物和1,2-二氧杂环烷。其中，新的基于蒽醌的化合物包括水溶性蒽醌，增强剂耦合蒽醌，双蒽醌和三蒽醌以及蒽醌-1,2-二氧杂环烷。新的1,2-二氧杂环烷包括含电子亏损基团的二氧杂环烷和连接的双1,2-二氧杂环烷。1,2-二氧杂环烷可用作各种酶的底物。蒽醌可以与氧化剂、水溶液缓冲液和可选的稳定剂混合形成底物或试剂配方，用于检测HRP等。