6-(9-oxo-9H-acridin-10-yl)hexanoic acid | 477865-52-4

• 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: 6-(9-oxo-9H-acridin-10-yl)hexanoic acid
• 英文别名: 6-(9-oxoacridin-10(9H)-yl)hexanoic acid；6-(9-oxoacridin-10-yl)hexanoic acid
• CAS: 477865-52-4
• 化学式: C₁₉H₁₉NO₃
• 分子量: 309.365
• InChiKey: UGFSLVCFIXAHDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 6-(9-oxo-9H-acridin-10-yl)hexanoate 、 盐酸 在 乙醚 、 Formula XVII 作用下， 以 溶剂黄146 为溶剂， 反应 18.25h， 以to give 0.36 g final product (Formula XVII)的产率得到6-(9-oxo-9H-acridin-10-yl)hexanoic acid
  参考文献：
  名称：

  Method for measuring aromatase activity

  摘要：

  本发明涉及用于测量芳香化酶活性的化合物。本发明还提供了测量芳香化酶活性和筛选调节芳香化酶活性的试剂的方法。还提供了用于这种筛选方法的试剂盒。

  公开号：

  US08334387B2

文献信息

• [EN] NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS PYRAZOLO-PYRIMIDINE ET LEUR UTILISATION COMME INHIBITEURS DE MALT1
  申请人：NOVARTIS AG

  公开号：WO2015181747A1

  公开（公告）日：2015-12-03

  The present invention describes new pyrazolo-pyrimidine derivatives of formula (I) or a pharmaceutically acceptable salt thereof; (I) wherein, R1 is halogen, cyano, or C1-C3alkyl optionally substituted by halogen; R2 is C1-C6alkyl optionally substituted one or more times by C1-C6alkyl, C2-C6alkenyl, hydroxyl, N,N-di-C1-C6alkyl amino, N-mono-C1-C6alkyl amino, O-Rg, Rg, phenyl, or by C1-C6alkoxy wherein said alkoxy again may optionally be substituted by C1-C6alkoxy, N,N-di-C1-C6alkyl amino, Rg or phenyl; C3-C6cycloalkyl optionally substituted by C1-C6alkyl, N,N-di-C1-C6alkyl amino or C1-C6alkoxy-C1-C6alkyl, and/or two of said optional substituents together with the atoms to which they are bound may form an annulated or spirocyclic 4 - 6 membered saturated heterocyclic ring comprising 1 - 2 O atoms; phenyl optionally substituted by C1-C6alkoxy; a 5 - 6 membered heteroaryl ring having 1 to 3 heteroatoms selected from N and O said ring being optionally substituted by C1-C6alkyl which may be optionally substituted by amino or hydroxy; Rg; or N,N-di-C1-C6alkyl amino carbonyl; and R is phenyl independently substituted two or more times by Ra, 2-pyridyl independently substituted one or more times by Rb, 3-pyridyl independently substituted one or more times by Rc, or 4-pyridyl independently substituted one or more times by Rd; which are generally interacting with MALT1 proteolytic and/or autoproteolytic activity, and in particular which may inhibit said activity. The present invention further describes the synthesis of said new pyrazolo-pyrimidine derivatives, their use as a medicament, especially by interacting with MALT1 proteolytic and/or autoproteolytic activity.

  本发明描述了新的吡唑基嘧啶衍生物（I）或其药学上可接受的盐；（I）其中，R1是卤素、氰基或由卤素取代的C1-C3烷基；R2是C1-C6烷基，可选地由C1-C6烷基、C2-C6烯基、羟基、N,N-二C1-C6烷基氨基、N-单C1-C6烷基氨基、O-Rg、Rg、苯基或由C1-C6烷氧基取代的C1-C6烷基取代一次或多次，其中该烷氧基再次可选地由C1-C6烷氧基、N,N-二C1-C6烷基氨基、Rg或苯基取代；C3-C6环烷基，可选地由C1-C6烷基、N,N-二C1-C6烷基氨基或C1-C6烷氧基-C1-C6烷基取代，和/或两个可选取代基与它们连接的原子一起可以形成1-2个氧原子的环化或螺环4-6成员饱和杂环环，包括苯基，可选地由C1-C6烷氧基取代；具有1至3个异原子（N和O）的5-6成员杂环环，该环可选地由C1-C6烷基取代，该烷基可选地由氨基或羟基取代；Rg；或N,N-二C1-C6烷基氨基羰基；R独立地由Ra取代两次或两次以上，独立地由Rb取代一次或多次的2-吡啶基，独立地由Rc取代一次或多次的3-吡啶基，或独立地由Rd取代一次或多次的4-吡啶基；这些基本上与MALT1蛋白酶和/或自体蛋白酶活性相互作用，特别是可能抑制该活性。本发明进一步描述了所述新的吡唑基嘧啶衍生物的合成，它们作为药物的用途，特别是通过与MALT1蛋白酶和/或自体蛋白酶活性相互作用。
• Acridone derivatives as labels for fluorescence detection of target materials
  申请人：——

  公开号：US20040191792A1

  公开（公告）日：2004-09-30

  Disclosed are new acridone dye derivatives having characteristic fluorescence lifetimes. Also disclosed are methods for labelling target biological materials employing the acridone dyes and use of the labelled materials in biological assays. The acridone derivatives have the following structure:in which Z 1 and Z 2 represent the atoms necessary to complete one ring, two fused ring, or three fused ring aromatic or heteroaromatic systems, each ring having five or six atoms selected from carbon atoms and optionally no more than two atoms selected from oxygen, nitrogen and sulphur; R 2 , R 3 , R 4 and R 5 are selected from hydrogen, halogen, amide, hydroxyl, cyano, nitro, mono- or di-nitro-substituted benzyl, amino, mono- or di-C 1 -C 4 alkyl-substituted amino, sulphydryl, carbonyl, carboxyl, C 1 -C 6 alkoxy, acrylate, vinyl, styryl, aryl, heteroaryl, C 1 -C 20 alkyl, aralkyl, sulphonate, sulphonic acid, quatemary ammonium, the group —E—F and the group —(CH 2 —) n Y; R 1 is selected from hydrogen, mono- or di-nitro-substituted benzyl, C 1 -C 20 alkyl, aralkyl, the group —E—F and the group —(CH 2 —) n Y; where E is a spacer group, F is a target bonding group; Y is selected from sulphonate, sulphate, phosphonate, phosphate, quaternary ammonium and carboxyl; and n is an integer from 1 to 6. The invention also relates to a set of different fluorescent acridone dye derivatives, each dye having a different fluorescence lifetime, the set of dyes being particularly useful for multiparameter analysis. 1

  本发明涉及具有特征性荧光寿命的新吖啶酮染料衍生物。还公开了利用吖啶酮染料标记目标生物材料的方法，并将标记的材料用于生物分析中。吖啶酮衍生物具有以下结构：其中Z1和Z2代表必要的原子，以完成一个环，两个融合环或三个融合环的芳香或杂芳系统，每个环由选自碳原子和最多两个选自氧、氮和硫的原子组成；R2、R3、R4和R5选自氢、卤素、酰胺、羟基、氰基、硝基、单取代或双硝基取代苄基、氨基、单取代或双C1-C4烷基取代的氨基、巯基、羰基、羧基、C1-C6烷氧基、丙烯酸酯、乙烯基、苯乙烯基、芳基、杂芳基、C1-C20烷基、芳基烷基、磺酸酯、磺酸、季铵盐、羟基基团—E—F和基团—(CH2—)nY；R1选自氢、单取代或双硝基取代苄基、C1-C20烷基、芳基烷基、基团—E—F和基团—( —)nY；其中E是一个间隔基团，F是一个目标配位基团；Y选自磺酸酯、硫酸酯、膦酸酯、磷酸酯、季铵盐和羧基；n为1至6的整数。该发明还涉及一组不同荧光吖啶酮染料衍生物，每种染料具有不同的荧光寿命，该染料组特别适用于多参数分析。
• ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS
  申请人：SMITH JOHN ANTHONY

  公开号：US20080139788A1

  公开（公告）日：2008-06-12

  Disclosed are new acridone dye derivatives having characteristic fluorescence lifetimes. Also disclosed are methods for labelling target biological materials employing the acridone dyes and use of the labelled materials in biological assays. The acridone derivatives have the following structure: in which Z 1 and Z 2 represent the atoms necessary to complete one ring, two fused ring, or three fused ring aromatic or heteroaromatic systems, each ring having five or six atoms selected from carbon atoms and optionally no more than two atoms selected from oxygen, nitrogen and sulphur; R 2 , R 3 , R 4 and R 5 are selected from hydrogen, halogen, amide, hydroxyl, cyano, nitro, mono- or di-nitro-substituted benzyl, amino, mono- or di-C 1 -C 4 alkyl-substituted amino, sulphydryl, carbonyl, carboxyl, C 1 -C 6 alkoxy, acrylate, vinyl, styryl, aryl, heteroaryl, C 1 -C 20 alkyl, aralkyl, sulphonate, sulphonic acid, quaternary ammonium, the group -E-F and the group —(CH 2 —) n Y; R 1 is selected from hydrogen, mono- or di-nitro-substituted benzyl, C 1 -C 20 alkyl, aralkyl, the group -E-F and the group —(CH 2 —) n Y; where E is a spacer group, F is a target bonding group; Y is selected from sulphonate, sulphate, phosphonate, phosphate, quaternary ammonium and carboxyl; and n is an integer from 1 to 6. The invention also relates to a set of different fluorescent acridone dye derivatives, each dye having a different fluorescence lifetime, the set of dyes being particularly useful for multiparameter analysis.

  本发明涉及具有特征荧光寿命的新蒽醌染料衍生物。本发明还涉及使用蒽醌染料标记目标生物材料的方法以及标记材料在生物测定中的应用。蒽醌衍生物具有以下结构：其中Z1和Z2代表必要的原子以完成一个环，两个融合环或三个融合环的芳香或杂芳香系统，每个环具有从碳原子中选择的五个或六个原子以及最多从氧，氮和硫中选择的两个原子；R2，R3，R4和R5选择自氢，卤素，酰胺，羟基，氰基，硝基，单取代或双取代苯甲基，氨基，单取代或双取代C1-C4烷基取代的氨基，巯基，羰基，羧基，C1-C6烷氧基，丙烯酸酯，乙烯基，苯乙烯基，芳基，杂芳基，C1-C20烷基，芳基烷基，磺酸盐，磺酸，季铵盐，-E-F基团和-(CH2-)nY基团；R1选择自氢，单取代或双取代苯甲基，C1-C20烷基，芳基烷基，-E-F基团和-( -)nY基团；其中E是一个间隔基团，F是一个目标键合基团；Y选择自磺酸盐，硫酸盐，膦酸盐，磷酸盐，季铵盐和羧基；n是1到6的整数。本发明还涉及一组不同荧光蒽醌染料衍生物，每种染料具有不同的荧光寿命，该染料组合特别适用于多参数分析。
• METHOD FOR MEASURING AROMATASE ACTIVITY
  申请人：WHATELEY JOHN GERARD

  公开号：US20110014641A1

  公开（公告）日：2011-01-20

  The present invention relates to compounds useful for measuring aromatase activity. The invention further provides methods for measuring aromatase activity and for screening test agents which modulate aromatase activity. A kit is also provided for use in such screening methods.

  本发明涉及用于测量芳香化酶活性的化合物。本发明还提供了测量芳香化酶活性和筛选调节芳香化酶活性的试剂的方法。还提供了用于这种筛选方法的试剂盒。
• Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors
  申请人：NOVARTIS AG

  公开号：US10442808B2

  公开（公告）日：2019-10-15

  The present invention describes new pyrazolo-pyrimidine derivatives according to Formula (I) which are generally interacting with MALT1 proteolytic and/or autoproteolytic activity, and in particular which may inhibit said activity. The present invention further describes the synthesis of said new pyrazolo-pyrimidine derivatives, their use as a medicament, especially by interacting with MALT1 proteolytic and/or autoproteolytic activity.

  本发明描述了符合式（I）的新吡唑嘧啶衍生物 的新吡唑嘧啶衍生物，它们通常与 MALT1 蛋白水解和/或自体蛋白水解活性相互作用，特别是可以抑制上述活性。本发明进一步描述了上述新吡唑嘧啶衍生物的合成及其作为药物的用途，特别是通过与 MALT1 蛋白溶解和/或自体蛋白溶解活性相互作用。