2-(苯并[d] [1,3]二氧杂环戊烯-5-基)-1-甲基喹啉-4(1H)-酮

• 常用名: 2-(苯并[d] [1,3]二氧杂环戊烯-5-基)-1-甲基喹啉-4(1H)-酮
• 英文名: 2-(Benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one
• CAS号: 485-61-0
• 分子量: 279.29
• 密度: 1.327g/cm3
• 沸点: 436.7ºC at 760mmHg
• 分子式: C₁₇H₁₃NO₃
• 熔点: 204-205 °C
• 闪点: 217.9ºC

用途

Graveoline (Rutamine) 是一种抗癌剂,可以引发皮肤黑色素瘤细胞的凋亡和自噬。Graveoline 还具有抗真菌活性。

名称

• 中文名: 2-(苯并[d] [1,3]二氧杂环戊烯-5-基)-1-甲基喹啉-4(1H)-酮
• 英文名: 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one

生物活性

• 描述: Graveoline (Rutamine) 是一种抗癌剂,可以引发皮肤黑色素瘤细胞的凋亡和自噬。Graveoline 还具有抗真菌活性。
• 相关类别:
  信号通路 >> 细胞凋亡 >> 细胞凋亡
  研究领域 >> 癌症
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 真菌
• 参考文献:

  [1]. Ghosh S, et, al. Graveoline isolated from ethanolic extract of Ruta graveolens triggers apoptosis and autophagy in skin melanoma cells: a novel apoptosis-independent autophagic signaling pathway. Phytother Res. 2014 Aug;28(8):1153-62.

  [2]. Kamal LZM, et, al. Identification of Alkaloid Compounds Arborinine and Graveoline from Ruta angustifolia (L.) Pers for their Antifungal Potential against Isocitrate lyase (ICL1) gene of Candida albicans. Mycopathologia. 2021 May;186(2):221-236.

物理化学性质

• 密度: 1.327g/cm3
• 沸点: 436.7ºC at 760mmHg
• 熔点: 204-205 °C
• 分子式: C₁₇H₁₃NO₃
• 分子量: 279.29
• 闪点: 217.9ºC
• 精确质量: 279.09000
• PSA: 40.46000
• LogP: 2.93420
• InChIKey: COBBNRKBTCBWQP-UHFFFAOYSA-N
• SMILES: Cn1c(-c2ccc3c(c2)OCO3)cc(=O)c2ccccc21
• 蒸汽压: 7.91E-08mmHg at 25°C
• 折射率: 1.652
• 储存条件: 室温，干燥密封

靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Antifungal activity against Phomopsis obscurans assessed as growth inhibition at 100 ... 来源：ChEMBL 靶标：Phomopsis obscurans External Id：CHEMBL3083083

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：Stimulation of Botryotinia fuckeliana growth at 30 uM after 48 hr by microplate photo... 来源：ChEMBL 靶标：Botrytis cinerea External Id：CHEMBL3083086

实验名称：Cytotoxicity against human HL cells assessed as cell viability at 50 uM after 72 hrs ... 来源：ChEMBL 靶标：HL External Id：CHEMBL4135472

实验名称：Antichlamydial activity against Chlamydia pneumoniae K7 infected in HL cells assessed... 来源：ChEMBL 靶标：Chlamydia pneumoniae External Id：CHEMBL4135473

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

共140条，当前第1页，共14页

1

2

3

4

5

英文别名

• 1-Methyl-2-<3,4-methylendioxyphenyl>-4-chinolon
• Graveolin
• Graveolin od. Rutamin
• Graveoline
• Prestwick_165