2,6-dimethyl-4-nitrophenyl-2-[2-(2,6-dimethylphenylcarbamoyl) ethyl]acridine-9-carboxylate | 154961-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,6-dimethyl-4-nitrophenyl-2-[2-(2,6-dimethylphenylcarbamoyl) ethyl]acridine-9-carboxylate
• 英文别名: (2,6-Dimethyl-4-nitrophenyl) 2-[3-(2,6-dimethylanilino)-3-oxopropyl]acridine-9-carboxylate
• CAS: 154961-81-6
• 化学式: C₃₃H₂₉N₃O₅
• 分子量: 547.61
• InChiKey: WDVOZDYFUXPDAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[2-(2,6-dimethyl-phenylcarbamoyl)ethyl]acridine-9-carboxylic acid 以70%的产率得到2,6-dimethyl-4-nitrophenyl-2-[2-(2,6-dimethylphenylcarbamoyl) ethyl]acridine-9-carboxylate
  参考文献：
  名称：

  Nitro substituted chemiluminescent labels and their conjugates, and

  摘要：

  一种新型化学发光标记组合物，包括一个酯、硫酯或酰胺，共价地并联于(1)易受过氧化物或分子氧攻击的杂环环或环系统的碳上，以及(2)芳环或环系统的苯环，其中该杂环环或环系统由其中的一个杂原子在使被攻击碳原子形成中间体并衰变产生化学发光的氧化状态中区分出来；该芳环或环系统在六元芳香烃上至少含有三个取代基，这些取代基在空间和电子上共同阻碍了链的水解，这些取代基包括苯环上的邻位取代基和其上的--NO.sub.2间位或对位取代基。还包括与特定结合物共轭的化学发光标记组合物；包括该共轭物的化学发光测定；以及包括能够进行测定的该共轭物的化学发光测定试剂盒。

  公开号：

  US05290936A1

文献信息

• Hydrolytically stable chemiluminescent labels and their conjugates, and
  申请人：London Diagnostics, Inc.

  公开号：US05284951A1

  公开（公告）日：1994-02-08

  A novel chemiluminescent labeling compositions comprising an ester, thioester or amide covalently and jointly bonded to (1) a carbon of a heterocyclic ring or ring system that is susceptible to attack by peroxide or molecular oxygen and (2) an aryl ring or ring system wherein the heterocyclic ring or ring system is distinguished by a heteroatom thereof in an oxidation state which causes the attacked carbon atom to form an intermediate that decays and produces chemiluminescence; the aryl ring or ring system contains at least three substituents on a six-member aromatic hydrocarbon that together sterically and electronically hinder hydrolysis of the linkage, which substituents involve ortho substituent groups on the aryl in conjunction with meta and/or para substituents thereon that possess an electron withdrawing capacity characterized as a .sigma..sub.p value greater than 0 and less than 1. Included are the chemiluminescent labeling composition conjugated with a specific binding material; a chemiluminescent assay comprising the conjugate; and a chemiluminescent assay kit comprising the conjugate with the capability of conducting the assay.

  一种新型的化学发光标记组合物，其包括酯、硫酯或酰胺，共价地连接于(1)易受过氧化物或分子氧攻击的杂环环或环系的碳上和(2)含有芳环或环系的芳基环或环系上。其中所述的杂环环或环系以其含有的氧化态异原子为特征，使得被攻击的碳原子形成一个中间体，从而产生化学发光；所述的芳基环或环系包含至少三个取代基，在一个六元芳香烃上共同产生立体和电子上的阻碍，从而阻止连接的水解，这些取代基包括在芳基上的邻位取代基和具有电子吸引能力的间位和/或对位取代基，其.sigma..sub.p值大于0且小于1。还包括与特定结合物质结合的化学发光标记组合物；包括所述结合物的化学发光测定；以及包括具有进行测定能力的结合物的化学发光测定试剂盒。
• Side-chain functional chemiluminescent labels and their conjugates, and
  申请人：London Diagnostics, Inc.

  公开号：US05283334A1

  公开（公告）日：1994-02-01

  A chemiluminescent compound possessing an aryl ester, thioester or amide of a carboxylic acid substituted heterocyclic ring or ring system that is susceptible to chemical attack to dissociate the heterocyclic ring to a transient compound. The heterocyclic ring is ring carbon-bonded to the carbonyl of the ester, thioester or amide moiety and possesses a heteroatom in an oxidation state that allows chemiluminescence by dissociating a compound at the carbon bonded to the carbonyl that decays to produce chemiluminescence. The heterocyclic ring or ring sustem contains bonded to it through an organic moiety, a functional group that is functionally reactive with an active hydrogen containing compound. The aryl ring is a ring or ring system that is ring carbon-bonded to the oxygen, sulfur or nitrogen of the ester, thioester or amide, as the case may be, and contains substituents on a six-member ring that act to sterically and electronically hinder hydrolysis of the ester, thioester or amide linkage. Optionally, there is an electron donating substituent in a peri position on the heterocyclic ring system. The substituents on the aryl ring comprise at least one ortho electron donating substitution that with the peri substitution comprises at least two substituents adjacent to the ester, thioester or amide linkage that are electron donors; at least one meta or para substituent on the aryl ring that possesses a .sigma..sub.p value greater than 0 and less than 1. Also described are assays and assay kits that employ such label compounds.

  一种化学发光化合物，具有一个含有芳基酯、硫酯或酰胺的杂环环或环系，该环或环系容易受到化学攻击而解离为瞬态化合物。该杂环环与酯、硫酯或酰胺基团的羰基相连，并具有一个杂原子处于氧化状态，使得通过解离与羰基相连的碳化合物发生化学发光。该杂环环或环系通过有机基团与其结合，并含有与活性氢含有化合物反应的官能团。芳环是一个环或环系，其环碳与酯、硫酯或酰胺的氧、硫或氮相连，并在六元环上含有取代基，起到空间和电子上的阻碍，以防止酯、硫酯或酰胺键的水解。可选地，在杂环环系的peri位上有一个电子给体取代基。芳环上的取代基至少包括一个ortho电子给体取代基，与peri取代基一起，至少包括两个邻接于酯、硫酯或酰胺键的电子给体取代基；芳环上至少有一个meta或para取代基，其.sigma..sub.p值大于0且小于1。还描述了使用这种标记化合物的检测和检测试剂盒。
• US5283334A
  申请人：——

  公开号：US5283334A

  公开（公告）日：1994-02-01
• US5284951A
  申请人：——

  公开号：US5284951A

  公开（公告）日：1994-02-08
• US5290936A
  申请人：——

  公开号：US5290936A

  公开（公告）日：1994-03-01