1-[4-(二甲氨基)苯基]-6-苯基己三烯 | 79849-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[4-(二甲氨基)苯基]-6-苯基己三烯
• 英文名称: 1-[4-(Dimethylamino)phenyl]-6-phenylhexatriene
• 英文别名: N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
• CAS: 79849-61-9
• 化学式: C₂₀H₂₁N
• 分子量: 275.4
• InChiKey: QNBRWGUCMQGGDA-YPXUENLVSA-N

物化性质

• 熔点：
  198-200 °C(lit.)
• 沸点：
  463.7±34.0 °C(Predicted)
• 密度：
  1.043±0.06 g/cm3(Predicted)
• 溶解度：
  在DMF中可溶

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38

文献信息

• Synthesis of 1,2-dioxetanes and intermediates therefor
  申请人：TROPIX, INC.

  公开号：EP0582317A2

  公开（公告）日：1994-02-09

  Compounds having formula (I), wherein T is a polycycloalkylidene group (e.g., adamant-2-ylidene); R is a C₁₋₂₀ alkyl, aralkyl or cycloalkyl group; and Y is a fluorescent chromophore (e.g., m-phenylene), produced by reacting a compound having formula (II) with an R-ylating agent (e.g., R₂SO₄) in the presence of an alkali metal alkoxide in a polar aprotic solvent. Also, compounds having formula (III) are produced by reacting a compound having formula (IV) with formula (V), wherein X is an electronegative leaving group (e.g., a halogen anion such as chloride ion) in the presence of a Lewis base (e.g., a trialkyl-amine) dissolved in an aprotic organic solvent (e.g., benzene or toluene). Also, compounds having formula (VI) are produced by reacting a compound of formula (VII) with a tetra-O-acylated-O-hexopyranoside halide, then hydrolysing off the protective acyl groups. The aforementioned compounds and procedures are useful in the synthesis of enzyme-cleavable 1,2-dioxetane ring systems that can serve as members of a binding pair employed, for example, in chemiluminescent immunoassays, DNA probe assays, and direct assays for an enzyme.

  具有式 (I) 的化合物，其中 T 是亚多环烷基（如亚金刚烷-2-基）；R 是 C₁₋₂₀烷基、芳基或环烷基；以及 Y 是荧光发色团（如间苯二酚）、间苯二酚），通过在极性钝化溶剂中，在碱金属烷氧化物存在下，使具有式（II）的化合物与 R-酰化剂（如 R₂SO₄）反应制得。此外，具有式（III）的化合物是通过具有式（IV）的化合物与式（V）反应制得的，其中 X 为电负性离去基团（如卤素阴离子，如氯离子），反应条件为路易斯碱（如三烷基胺）溶于无极性有机溶剂（如苯或甲苯）中。此外，具有式（VI）的化合物是通过式（VII）的化合物与四-O-酰化-O-吡喃己苷卤化物反应，然后水解掉保护酰基而制得的。上述化合物和程序可用于合成可被酶清除的 1，2-二氧杂环烷环系统，这些环系统可作为例如化学发光免疫测定、DNA 探针测定和酶的直接测定中使用的结合对的成员。
• Method of detecting a substance using enzymatically-induced decomposition of dioxetanes
  申请人：TROPIX, INC.

  公开号：EP0859062A2

  公开（公告）日：1998-08-19

  In an assay method in which a member of a specific binding pair is detected by means of an optically detectable reaction, the improvement wherein the optically detectable reaction includes the reaction, with an enzyme, of a dioxetane having the formula where T is a cycloalkyl or polycycloalkyl group bonded to the 4-membered ring portion of the dioxetane by a spiro linkage; Y is a fluorescent chromophore; X is hydrogen, alkyl, aryl, aralkyl, alkaryl, heteroalkyl, heteroaryl, cycloalkyl, cycloheteroalkyl, or enzyme-cleavable group; and Z is hydrogen or an enzyme-cleavable group, provided that at least one of X or Z must be an enzyme-cleavable group, so that the enzyme cleaves the enzyme-cleavable group from the dioxetane to form a negatively charged substituent bonded to the dioxetane, the negatively charged substituent causing the dioxetane to decompose to form a luminescent substance that includes group Y of said dioxetane.

  在通过光学可检测反应检测特异性结合对成员的检测方法中，改进之处在于其中的光学可检测反应包括具有以下式子的二氧杂环丁烷与酶的反应 其中 T 是环烷基或多环烷基，通过螺连接键与二氧杂环烷的 4 元环部分结合； Y 是荧光发色团； X 是氢、烷基、芳基、芳烷基、烷芳基、杂烷基、杂芳基、环烷基、环杂烷基或酶可裂解基团；和 Z 是氢或酶可切除基团，条件是 X 或 Z 中至少有一个必须是酶可切除基团，以便酶将酶可切除基团从二氧杂环丁烷中切 除，形成与二氧杂环丁烷结合的带负电的取代基，带负电的取代基使二氧杂环丁烷分解，形成包括所述二氧杂环丁烷的 Y 基团的发光物质。
• Kit for conducting an assay to detect a substance using enzymatically-induced decomposition of dioxetanes
  申请人：——

  公开号：US20020102624A1

  公开（公告）日：2002-08-01

  In an assay method in which a member of a specific binding pair is detected by means of an optically detectable reaction, the improvement wherein the optically detectable reaction includes the reaction, with an enzyme, of a dioxetane having the formula 1 where T is a cycloalkyl or polycycloalkyl group bonded to the 4-membered ring portion of the dioxetane by a spiro linkage; Y is a fluorescent chromophore; X is H, alkyl, aryl, aralkyl, alkaryl, heteroalkyl, heteroaryl, cycloalkyl, cycloheteroalkyl, or enzyme-cleavable group; and Z is H or an enzyme-cleavable group, provided that at least one of X or Z must be an enzyme-cleavable group, so that the enzyme cleaves the enzyme-cleavable group from the dioxetane to form a negatively charged substituent bonded to the dioxetane, the negatively charged substituent causing the dioxetane to decompose to form a luminescent substance that includes group Y of said dioxetane.

  在一种检测方法中，通过光学检测反应来检测特异性结合对中的一个成员，其中光学检测反应包括二氧杂环丁烷与酶的反应，其式为 1 其中 T 是通过螺连接键与二氧杂环烷的 4 元环部分结合的环烷基或多环烷基； Y 是荧光发色团； X 是 H、烷基、芳基、芳烷基、烷芳基、杂烷基、杂芳基、环烷基、环杂烷基或酶可裂解基团；和 Z 是 H 或酶可切除基团，条件是 X 或 Z 中至少有一个必须是酶可切除基团，以便酶从二氧杂环丁烷中切 除酶可切除基团，形成与二氧杂环丁烷结合的带负电的取代基，带负电的取代基使二氧杂环丁烷分解，形成包括所述二氧杂环丁烷的 Y 基团的发光物质。
• Light emitting markers for use with substrates
  申请人：——

  公开号：US20030015284A1

  公开（公告）日：2003-01-23

  A method of determining whether a substrate has been subjected to an energy source. In one embodiment, the method includes the steps of providing a polymeric surface, providing a light emitting material having a specified emission spectrum that changes upon exposure to an energy source on the surface or embedded in said substrate and applying said energy source to said surface with said light emitting material. This method can be particularly useful for detecting the bond quality in medical devices.

  一种确定基底是否经受过能量源的方法。在一个实施方案中，该方法包括以下步骤：提供聚合物表面；提供具有特定发射光谱的发光材料，该材料在表面或嵌入所述基底中暴露于能量源后会发生变化；将所述能量源与所述发光材料一起应用于所述表面。这种方法尤其适用于检测医疗设备的粘接质量。
• Fluorescent dyed lubricant for medical devices
  申请人：——

  公开号：US20030018353A1

  公开（公告）日：2003-01-23

  A composition and method for detecting the presence, location and uniformity of a lubricious coating on a medical device. The method includes the steps of preparing a mixture of a biocompatible hydrophilic fluorescent dye and a hydrophobic lubricant, applying the mixture to the surface of a medical device to form a coating capable of exhibiting fluorescence, and subjecting the surface of the medical device to a source of energy capable of inducing a fluorescent emission. The coating composition may further comprise a surfactant. This method finds particular utility for catheters, especially stent delivery catheters.

  一种用于检测医疗器械上润滑涂层的存在、位置和均匀性的组合物和方法。该方法包括以下步骤：制备生物相容性亲水性荧光染料和疏水性润滑剂的混合物，将该混合物涂抹到医疗设备表面以形成能够发出荧光的涂层，以及将医疗设备表面置于能够诱发荧光发射的能量源下。涂层组合物可进一步包含表面活性剂。这种方法特别适用于导管，尤其是支架输送导管。