(E)-2-(4-(6-(dimethylamino)pyridine-3-yl)buta-1-en-3-ynyl)quinoline-6-ol | 1565797-24-1

• 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: (E)-2-(4-(6-(dimethylamino)pyridine-3-yl)buta-1-en-3-ynyl)quinoline-6-ol
• 英文别名: 2-[(E)-4-[6-(dimethylamino)pyridin-3-yl]but-1-en-3-ynyl]quinolin-6-ol
• CAS: 1565797-24-1
• 化学式: C₂₀H₁₇N₃O
• 分子量: 315.374
• InChiKey: KZWDODDRATZBQR-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-二甲氨基-5-碘吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 pyridine-SO3 complex 、 三溴化硼 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 、 mineral oil 为溶剂， 反应 0.5h， 生成 (E)-2-(4-(6-(dimethylamino)pyridine-3-yl)buta-1-en-3-ynyl)quinoline-6-ol
  参考文献：
  名称：

  NOVEL COMPOUND FOR IMAGING TAU PROTEIN ACCUMULATED IN THE BRAIN

  摘要：

  公开号：

  EP2767532B1

文献信息

• 脳内に蓄積したタウタンパク質をイメージングするための新規化合物
  申请人：国立研究開発法人量子科学技術研究開発機構

  公开号：WO2014097474A1

  公开（公告）日：2014-06-26

  本発明は、下記式(I)で表される化合物、その医薬として許容し得る塩、又はその溶媒和物を提供する。【化１】（式中、 R1及びR2は、それぞれ独立に、水素、アルキル、アルケニル、アシル、及びヒドロキシアルキルからなる群から選択され； R3は、水素又はハロゲンであり； 環Aは、ベンゼン環又はピリジン環であり； 環Bは、下記式(i)、(ii)、(iii)、及び(iv)からなる群から選択され：【化２】； 式(ii)において、Raは、アルキルであり； R4及びR5は、それぞれ独立に、水素、ヒドロキシ、アルコキシ、ハロアルコキシ、ハロヒドロキシアルコキシ、及びアミノアルキルからなる群から選択され；かつ【化３】は、二重結合又は三重結合を表す。上記化合物は、脳内に蓄積したタウタンパク質をイメージングするための分子プローブとして使用することができる。【選択図】なし

  本发明提供了以下式(I)所示的化合物，其可容许盐或其溶剂物，并作为医药使用。【化１】（其中，R1和R2分别独立地选择自氢，烷基，烯基，酰基和羟基烷基等基团；R3是氢或卤素；环A是苯环或吡啶环；环B从下列式（i），（ii），（iii）和（iv）群中选择：【化２】；在式（ii）中，Ra是烷基；R4和R5分别独立地选择自氢，羟基，烷氧基，卤代烷氧基，卤代羟基烷氧基和氨基烷基等基团；且【化３】表示双键或三键。上述化合物可用作成像脑内累积的Tau蛋白的分子探针。【选择图】无
• Novel Compounds for Imaging Tau Proteins That Accumulate In Brain
  申请人：National Institute of Radiological Sciences

  公开号：US20150239878A1

  公开（公告）日：2015-08-27

  The present invention provides a compound represented by the following formula (I), a pharmaceutically acceptable salt thereof, or a solvate thereof. wherein: R 1 and R 2 are each separately selected from the group consisting of hydrogen, alkyl, alkenyl, acyl, and hydroxyalkyl; R 3 is hydrogen or halogen; ring A is a benzene ring or a pyridine ring; ring B is selected from the group consisting of the following formulas (i), (ii), (iii), and (iv): in the formula (ii), R a is alkyl; R 4 and R 5 are each separately selected from the group consisting of hydrogen, hydroxy, alkoxy, haloalkoxy, halohydroxyalkoxy, and aminoalkyl; and [Formula 3] represents a double bond or a triple bond. The above compound can be used as a molecular probe for imaging tau proteins that accumulate in the brain.

  本发明提供了一种化合物，其表示为以下式子（I），其药学上可接受的盐或其溶剂化物。其中：R1和R2各自独立地选择自氢，烷基，烯基，酰基和羟基烷基的群组；R3是氢或卤素；环A是苯环或吡啶环；环B选择自以下式子（i），（ii），（iii）和（iv）的群组：在式子（ii）中，Ra是烷基；R4和R5各自独立地选择自氢，羟基，烷氧基，卤代烷氧基，卤代羟基烷氧基和氨基烷基的群组；以及[公式3]表示双键或三键。以上化合物可用作成像在脑中积累的tau蛋白的分子探针。
• Compounds for imaging tau proteins that accumulate in the brain
  申请人：National Institutes for Quantum and Radiological Science and Technology

  公开号：US10604516B2

  公开（公告）日：2020-03-31

  The present invention provides a compound represented by the following formula (I), a pharmaceutically acceptable salt thereof, or a solvate thereof. wherein: R1 and R2 are each separately selected from the group consisting of hydrogen, alkyl, alkenyl, acyl, and hydroxyalkyl; R3 is hydrogen or halogen; ring A is a benzene ring or a pyridine ring; ring B is selected from the group consisting of the following formulas (i), (ii), (iii), and (iv): in the formula (ii), Ra is alkyl; R4 and R5 are each separately selected from the group consisting of hydrogen, hydroxy, alkoxy, haloalkoxy, halohydroxyalkoxy, and aminoalkyl; and   [Formula 3] represents a double bond or a triple bond. The above compound can be used as a molecular probe for imaging tau proteins that accumulate in the brain.

  本发明提供了由下式（I）代表的化合物、其药学上可接受的盐或其溶液。 其中 R1 和 R2 分别选自由氢、烷基、烯基、酰基和羟烷基组成的组； R3 是氢或卤素 环 A 是苯环或吡啶环； 环 B 选自下式 (i)、(ii)、(iii) 和 (iv) 所组成的组： 在式(ii)中，Ra 是烷基； R4 和 R5 分别选自由氢、羟基、烷氧基、卤代烷氧基、卤代羟基烷氧基和氨基烷基组成的组；以及 [式 3］ 代表双键或三键。上述化合物可用作分子探针，对大脑中积累的 tau 蛋白进行成像。
• Novel Compounds for Imaging Tau Proteins That Accumulate in the Brain
  申请人：National Institutes for Quantum and Radiological Science and Technology

  公开号：US20200262829A1

  公开（公告）日：2020-08-20

  The present invention provides a compound represented by the following formula (I), a pharmaceutically acceptable salt thereof, or a solvate thereof. wherein: R 1 and R 2 are each separately selected from the group consisting of hydrogen, alkyl, alkenyl, acyl, and hydroxyalkyl; R 3 is hydrogen or halogen; ring A is a benzene ring or a pyridine ring; ring B is selected from the group consisting of the following formulas (i), (ii), (iii), and (iv): in the formula (ii), R a is alkyl; R 4 and R 5 are each separately selected from the group consisting of hydrogen, hydroxy, alkoxy, haloalkoxy, halohydroxyalkoxy, and aminoalkyl; and [Formula 3] represents a double bond or a triple bond. The above compound can be used as a molecular probe for imaging tau proteins that accumulate in the brain.
• NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN BRAIN
  申请人：National Institutes for Quantum and Radiological Science and Technology

  公开号：US20220056020A1

  公开（公告）日：2022-02-24

  The present invention provides a compound represented by the following formula (I), a pharmaceutically acceptable salt thereof, or a solvate thereof: wherein: R 1 and R 2 are each separately selected from the group consisting of hydrogen, alkyl, alkenyl, acyl, and hydroxyalkyl; R 3 is hydrogen or halogen; ring A is a benzene ring or a pyridine ring; ring B is selected from the group consisting of the following formulas (i), (ii), (iii), and (iv): in the formula (ii), Ra is alkyl; R 4 and R 5 are each separately selected from the group consisting of hydrogen, hydroxy, alkoxy, haloalkoxy, halohydroxyalkoxy, and aminoalkyl; and represents a double bond or a triple bond. The above compound can be used as a molecular probe for imaging tau proteins that accumulate in the brain.