Ethyl 4-(7-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)butanoate | 1448822-28-3

• 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: Ethyl 4-(7-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)butanoate
• 英文别名: ethyl 4-(7-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanoate
• CAS: 1448822-28-3
• 化学式: C₁₈H₂₇NO₃
• 分子量: 305.417
• InChiKey: WVULNBAOCKNFGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 4-(7-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)butanoate 在 盐酸 、 N-羟基-7-氮杂苯并三氮唑 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三氟乙酸 作用下， 以 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 26.5h， 生成 tert-butyl 4-[4-[8'-chloro-9'-(4-hydroxy-N-methylanilino)-2',2',4'-trimethyl-3-oxospiro[2-benzofuran-1,6'-3,4-dihydrochromeno[3,2-g]quinoline]-1'-yl]butanoyl]piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE
  [FR] SONDES FLUOROGÈNES À BASE DE DIARYLAMINE UTILISABLES EN VUE DE LA DÉTECTION DE PÉROXYNITRITE

  摘要：

  本发明提供了改进的氟发生化合物和探针，可用作测量、检测和/或筛选过氧亚硝酸盐的试剂。所述氟发生化合物能够产生例如绿色、黄色、红色或远红色的荧光颜色。还提供了用于选择性地对活细胞线粒体中的过氧亚硝酸盐进行染色的氟发生化合物。还提供了可用于直接或间接测量化学样品和生物样品（如活体生物的细胞和组织）中过氧亚硝酸盐的存在和/或数量的方法。还提供了用于检测或筛选过氧亚硝酸盐或能够增加或减少化学和生物样品中过氧亚硝酸盐水平的化合物的高通量筛选方法。

  公开号：

  WO2013113279A1
• 作为产物：
  描述：

  7-甲氧基-2,2,4-三甲基-1,2-二氢喹啉 在 palladium on activated charcoal 、 氢溴酸 、 1,8-双二甲氨基萘 、 溶剂黄146 、 sodium iodide 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 72.0h， 生成 Ethyl 4-(7-hydroxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)butanoate
  参考文献：
  名称：

  DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL

  摘要：

  本文提供了改进的荧光化合物和探针，可用作测量、检测和/或筛选次氯酸或羟基自由基的试剂。本发明的荧光化合物可以产生绿色、黄色、红色或远红色的荧光颜色。本文还提供了用于选择性染色活细胞线粒体中的次氯酸或羟基自由基的荧光化合物。本文还提供了可用于直接或间接测量化学样品和生物样品中次氯酸或羟基自由基的存在和/或数量的方法，如活体生物体中的细胞和组织。还提供了用于检测或筛选化学和生物样品中次氯酸或羟基自由基或能够增加或减少次氯酸或羟基自由基水平的化合物的高通量筛选方法。

  公开号：

  US20160312033A1

文献信息

• [EN] BISTRIFILATE-BASED FLUOROGENIC PROBES FOR DETECTION OF SUPEROXIDE ANION RADICAL<br/>[FR] SONDES FLUOROGÈNES À BASE DE BISTRIFLATES PERMETTANT LA DÉTECTION DE RADICAUX D'ANIONS SUPEROXYDES
  申请人：UNIV HONG KONG

  公开号：WO2015113455A1

  公开（公告）日：2015-08-06

  The invention provides fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening superoxide. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. The invention further provides fluorogenic compounds for selectively staining superoxide in the mitochondria of living cells. The invention also provides methods that can be used to measure, directly or indirectly, the presence and/or amount of superoxide in chemical samples and biological samples such as cells and tissues in living organisms, and a high-throughput screening methods for detecting or screening superoxide or compounds that can increase or decrease the level of superoxide in chemical and biological samples.

  本发明提供了可用于测量、检测和/或筛选超氧阴离子的发光化合物和探针。本发明的发光化合物能够产生例如绿色、黄色、红色或远红色的荧光。本发明进一步提供了用于选择性地染色活细胞线粒体中超氧阴离子的发光化合物。本发明还提供了可用于直接或间接测量化学样品和生物样品（如活生物体中的细胞和组织）中超氧阴离子的存在和/或量的方法，以及用于检测或筛选超氧阴离子或能够增加或减少化学和生物样品中超氧阴离子水平的化合物的高通量筛选方法。
• BISTRIFILATE-BASED FLUOROGENIC PROBES FOR DETECTION OF SUPEROXIDE ANION RADICAL
  申请人：Yang Dan

  公开号：US20150219676A1

  公开（公告）日：2015-08-06

  The invention provides fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening superoxide. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. The invention further provides fluorogenic compounds for selectively staining superoxide in the mitochondria of living cells. The invention also provides methods that can be used to measure, directly or indirectly, the presence and/or amount of superoxide in chemical samples and biological samples such as cells and tissues in living organisms, and a high-throughput screening methods for detecting or screening superoxide or compounds that can increase or decrease the level of superoxide in chemical and biological samples.

  该发明提供了可以用作测量、检测和/或筛选超氧化物的试剂的荧光化合物和探针。该发明的荧光化合物可以产生荧光颜色，如绿色、黄色、红色或远红色。该发明进一步提供了用于选择性染色活细胞线粒体中超氧化物的荧光化合物。该发明还提供了可用于直接或间接测量化学样品和生物样品中超氧化物的存在和/或量的方法，例如生物体内的细胞和组织，以及用于检测或筛选化学和生物样品中超氧化物或可以增加或减少超氧化物水平的化合物的高通量筛选方法。
• 바이오티올 탐지를 위한 신규의 쿠마린계 화합물 및 이를 이용한 탐지 조성물 및 이의 제조방법
  申请人：Korea Advanced Institute of Science and Technology 한국과학기술원(319980988661) BRN ▼314-82-01980

  公开号：KR101797865B1

  公开（公告）日：2017-11-15

  본 발명은 하기 화학식 1 또는 하기 화학식 2로 표시되는 신규한 쿠마린(Coumarin)계 화합물을 이용하여 바이오티올을 검출하는 탐지용 조성물을 제공한다. [화학식 1] [화학식 2]

  本发明提供了一种用以下化学式1或以下化学式2表示的新型香豆素(Coumarin)类化合物来检测生物硫的检测组合物。 [化学式1] [化学式2]
• DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE
  申请人：The University Of Hong Kong

  公开号：EP3431480A1

  公开（公告）日：2019-01-23

  Provided herein are improved fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening peroxynitrite. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. Also provided herein are fluorogenic compounds for selectively staining peroxynitrite in the mitochondria of living cells. Provided also herein are methods that can be used to measure, directly or indirectly, the presence and/or amount of peroxynitrite in chemical samples and biological samples such as cells and tissues in living organisms. Also provided are high-throughput screening methods for detecting or screening peroxynitrite or compounds that can increase or decrease the level of peroxynitrite in chemical and biological samples.

  本发明提供了改进的致氟化合物和探针，可用作测量、检测和/或筛选过亚硝酸盐的试剂。本发明的致氟化合物可产生荧光颜色，如绿色、黄色、红色或远红色。本文还提供了用于选择性染色活细胞线粒体中过亚硝酸的含氟化合物。本文还提供了可用于直接或间接测量化学样品和生物样品（如活生物体的细胞和组织）中过亚硝酸的存在和/或数量的方法。本文还提供了高通量筛选方法，用于检测或筛选化学和生物样品中的过亚硝酸盐或可提高或降低过亚硝酸盐水平的化合物。
• Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical
  申请人：THE UNIVERSITY OF HONG KONG

  公开号：US10684294B2

  公开（公告）日：2020-06-16

  Provided herein are improved fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening hypochlorous acid or hydroxyl radical. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. Also provided herein are fluorogenic compounds for selectively staining hypochlorous acid or hydroxyl radical in the mitochondria of living cells. Provided also herein are methods that can be used to measure, directly or indirectly, the presence and/or amount of hypochlorous acid or hydroxyl radical in chemical samples and biological samples such as cells and tissues in living organisms. Also provided are high-throughput screening methods for detecting or screening hypochlorous acid or hydroxyl radical or compounds that can increase or decrease the level of hypochlorous acid or hydroxyl radical in chemical and biological samples.

  本发明提供了可用作测量、检测和/或筛选次氯酸或羟基自由基试剂的改进型致氟化合物和探针。本发明的致氟化合物可产生荧光颜色，如绿色、黄色、红色或远红色。本文还提供了用于选择性染色活细胞线粒体中次氯酸或羟自由基的含氟化合物。本文还提供了可用于直接或间接测量化学样品和生物样品（如活生物体的细胞和组织）中次氯酸或羟自由基的存在和/或数量的方法。本文还提供了高通量筛选方法，用于检测或筛选化学和生物样品中的次氯酸或羟自由基或可增加或减少次氯酸或羟自由基水平的化合物。