4'-Hydroxyphenyl 10-methylacridinium-9-carboxylate trifluoromethanesulfonate | 161006-17-3

• 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: 4'-Hydroxyphenyl 10-methylacridinium-9-carboxylate trifluoromethanesulfonate
• 英文别名: (4-Hydroxyphenyl) 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate
• CAS: 161006-17-3
• 化学式: CF₃O₃S*C₂₁H₁₆NO₃
• 分子量: 479.433
• InChiKey: ITYHBQIYUYHQOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4'-Hydroxyphenyl 10-methylacridinium-9-carboxylate trifluoromethanesulfonate 在 ammonium chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 4'-hydroxyphenyl-10-methylacridan-9-carboxylate
  参考文献：
  名称：

  N-alkylacridan carboxyl derivatives useful for chemiluminescent detection

  摘要：

  N-烷基吖啶羧酸衍生物化合物（I）通过过氧化物酶酶和氧化剂的作用产生化学发光。这些化合物I在各种类型的测定中都很有用。

  公开号：

  US05491072A1

文献信息

• Chemiluminescent acridinum compounds and analogues thereof as substrates of hydrolytic enzymes
  申请人：Jiang Qingping

  公开号：US20050032147A1

  公开（公告）日：2005-02-10

  A chemiluminescent substrate of a hydrolytic enzyme having the following general Formula I is disclosed, as follows: Lumi-M-P  Formula I where “Lumi” is a chemiluminescent moiety capable of producing light (a) by itself, (b) with MP attached and (c) with M attached. Examples of Lumi include chemiluminescent acridinium compounds, benzacridinium compounds, quinolinium compounds, isoquinolinium compounds, phenanthridinium compounds, and lucigenin compounds, spiroacridan compounds, luminol compounds and isoluminol compounds. M is a multivalent heteroatom having at least one lone pair of electrons selected from oxygen, nitrogen and sulfur, directly attached to the light emitting moiety of Lumi at one end and to P at the other end. P is a group that can be readily removed by hydrolytic enzymes. An enzymatic reaction utilizing the above compound is the following: where HE is a hydrolytic enzyme. Lumi-M is a chemiluminescent product having physical and/or chemical properties different from those of Lumi-M-P.

  本文介绍了一种水解酶的化学发光底物，其具有以下一般式I，如下所示：Lumi-M-P  式I，其中“Lumi”是一种化学发光基团，能够自身（a）、与MP连接（b）或与M连接（c）产生光。Lumi的例子包括化学发光的吖啶化合物、苯并吖啶化合物、喹啉化合物、异喹啉化合物、苯并吖啶化合物、吕克吉宁化合物、螺吖啶化合物、吲哚啉化合物和异吲哚啉化合物。M是一种多价杂原子，具有至少一个孤对电子，选择氧、氮和硫之一，直接连接到Lumi的发光基团的一端，并连接到P的另一端。P是一种可以被水解酶轻易去除的基团。利用上述化合物的酶促反应如下所示：其中HE是一种水解酶。Lumi-M是一种具有与Lumi-M-P不同的物理和/或化学性质的化学发光产物。
• Chemiluminescent Acridinium Compounds and Analogues thereof as Substrates of Hydrolytic Enzymes
  申请人：Jiang Qingping

  公开号：US20060202179A1

  公开（公告）日：2006-09-14

  A chemiluminescent substrate of a hydrolytic enzyme having the following general Formula I is disclosed, as follows: Lumi-M-P   Formula I where “Lumi” is a chemiluminescent moiety capable of producing light (a) by itself, (b) with MP attached and (c) with M attached. Examples of Lumi include chemiluminescent acridinium compounds, benzacridinium compounds, quinolinium compounds, isoquinolinium compounds, phenanthridinium compounds, and lucigenin compounds, spiroacridan compounds, luminol compounds and isoluminol compounds. M is a multivalent heteroatom having at least one lone pair of electrons selected from oxygen, nitrogen and sulfur, directly attached to the light emitting moiety of Lumi at one end and to P at the other end. P is a group that can be readily removed by hydrolytic enzymes. An enzymatic reaction utilizing the above compound is the following: where HE is a hydrolytic enzyme. Lumi-M is a chemiluminescent product having physical and/or chemical properties different from those of Lumi-M-P.

  本文披露了一种具有以下一般式I的水解酶化学发光底物，如下所示：Lumi-M-P  式I，其中“Lumi”是一种化学发光基团，能够(a)自身产生光，(b)与MP结合产生光，以及(c)与M结合产生光。Lumi的例子包括化学发光的吖啶化合物、苯并吖啶化合物、喹啉化合物、异喹啉化合物、菲啶化合物、卢西根化合物、螺吖啶化合物、路米诺化合物和异路米诺化合物。M是一种多价杂原子，具有至少一个孤对电子，选自氧、氮和硫，在一端直接与Lumi的发光基团相连，另一端与P相连。P是一种可被水解酶轻易去除的基团。利用上述化合物的酶促反应如下：其中HE是一种水解酶。Lumi-M是一种化学发光产物，具有与Lumi-M-P不同的物理和/或化学特性。
• Novel N-alkylacridan carboxyl derivatives useful for chemiluminescent detection
  申请人：LUMIGEN, INC.

  公开号：EP0625510A2

  公开（公告）日：1994-11-23

  N-alkylacridan carboxylic acid derivative compounds (I) are used to generate chemiluminescence by the action of a peroxidase enzyme and an oxidant. The compounds I are useful in assays of all types.

  N- 烷基吖啶羧酸衍生物化合物（I）可在过氧化物酶和氧化剂的作用下产生化学发光。化合物 I 适用于各种类型的检测。
• CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES
  申请人：Bayer Corporation

  公开号：EP1203091A1

  公开（公告）日：2002-05-08
• US5491072A
  申请人：——

  公开号：US5491072A

  公开（公告）日：1996-02-13