8,9-dimethoxy-5-methyl-phenanthridin-6-one结构式
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常用名 | 8,9-dimethoxy-5-methyl-phenanthridin-6-one | 英文名 | 8,9-dimethoxy-5-methyl-phenanthridin-6-one |
|---|---|---|---|---|
| CAS号 | 52050-44-9 | 分子量 | 269.29500 | |
| 密度 | 1.215g/cm3 | 沸点 | 475.5ºC at 760 mmHg | |
| 分子式 | C16H15NO3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 241.4ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 8,9-dimethoxy-5-methylphenanthridin-6-one |
|---|
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.215g/cm3 |
|---|---|
| 沸点 | 475.5ºC at 760 mmHg |
| 分子式 | C16H15NO3 |
| 分子量 | 269.29500 |
| 闪点 | 241.4ºC |
| 精确质量 | 269.10500 |
| PSA | 40.46000 |
| LogP | 2.70890 |
| InChIKey | QIVCMLJWLWPOSF-UHFFFAOYSA-N |
| SMILES | COc1cc2c(=O)n(C)c3ccccc3c2cc1OC |
| 折射率 | 1.597 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~89%
8,9-dimethoxy-5... 52050-44-9 |
| 文献:Mishra, Sourabh; De, Subhadip; N Kakde, Badrinath; Dey, Dhananjay; Bisai, Alakesh Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, 2013 , vol. 52, # 8-9 p. 1093 - 1102 |
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~42%
8,9-dimethoxy-5... 52050-44-9 |
| 文献:Hua, Si-Kai; Hu, Qiu-Peng; Ren, Jiangmeng; Zeng, Bu-Bing Synthesis (Germany), 2013 , vol. 45, # 4 art. no. SS-2012-H0751-OP, p. 518 - 526 |
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~99%
8,9-dimethoxy-5... 52050-44-9 |
| 文献:Borduas, Nadine; Lough, Alan J.; Dong, Vy M. Inorganica Chimica Acta, 2011 , vol. 369, # 1 p. 247 - 252 |
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~%
8,9-dimethoxy-5... 52050-44-9 |
| 文献:Fujita, Reiko; Yoshisuji, Toshiteru; Wakayanagi, Sota; Wakamatsu, Hideaki; Matsuzaki, Hisao Chemical and Pharmaceutical Bulletin, 2006 , vol. 54, # 2 p. 204 - 208 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 2 | |
|---|---|
| 下游产品 0 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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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
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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
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 52050-44-9的分子式是什么? |
| A: 52050-44-9分子式为C16H15NO3。 |
| Q: 52050-44-9的分子量是多少? |
| A: 52050-44-9分子量为269.29500。 |
| Q: 52050-44-9的中文名称是什么? |
| A: 52050-44-9的中文名称为52050-44-9。 |
| Q: 52050-44-9的上游原料有哪些? |
| A: 52050-44-9相关上游原料(CAS):65367-80-8;3588-31-6。 |
| Q: 52050-44-9的LogP(油水分配系数)是多少? |
| A: 52050-44-9LogP(油水分配系数)为2.70890。 |
| Q: 52050-44-9的InChIKey是什么? |
| A: 52050-44-9InChIKey为QIVCMLJWLWPOSF-UHFFFAOYSA-N。 |
| Q: 52050-44-9的英文名称是什么? |
| A: 52050-44-9英文名称为8,9-dimethoxy-5-methylphenanthridin-6-one。 |
| Q: 52050-44-9的SMILES表达式是什么? |
| A: 52050-44-9SMILES表达式为COc1cc2c(=O)n(C)c3ccccc3c2cc1OC。 |
| Q: 52050-44-9的沸点是多少? |
| A: 52050-44-9沸点为475.5ºC at 760 mmHg。 |
| Q: 52050-44-9的CAS号是多少? |
| A: 52050-44-9CAS号为52050-44-9。 |