methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate结构式
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常用名 | methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate | 英文名 | methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate |
|---|---|---|---|---|
| CAS号 | 2006-80-6 | 分子量 | 294.30500 | |
| 密度 | 1.24g/cm3 | 沸点 | 465.4ºC at 760 mmHg | |
| 分子式 | C17H14N2O3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 235.3ºC |
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 | methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate |
|---|---|
| 英文别名 | 更多 |
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 | 1.24g/cm3 |
|---|---|
| 沸点 | 465.4ºC at 760 mmHg |
| 分子式 | C17H14N2O3 |
| 分子量 | 294.30500 |
| 闪点 | 235.3ºC |
| 精确质量 | 294.10000 |
| PSA | 61.19000 |
| LogP | 2.48070 |
| InChIKey | GWYMSEVUCVMJFZ-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O |
| 蒸汽压 | 7.69E-09mmHg at 25°C |
| 折射率 | 1.622 |
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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~86%
methyl 2-(2-met... 2006-80-6 |
| 文献:Fang, Jie; Zhou, Jianguang Organic and Biomolecular Chemistry, 2012 , vol. 10, # 12 p. 2389 - 2391 |
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~%
methyl 2-(2-met... 2006-80-6 |
| 文献:Fang, Jie; Zhou, Jianguang Organic and Biomolecular Chemistry, 2012 , vol. 10, # 12 p. 2389 - 2391 |
|
~%
methyl 2-(2-met... 2006-80-6 |
| 文献:Fang, Jie; Zhou, Jianguang Organic and Biomolecular Chemistry, 2012 , vol. 10, # 12 p. 2389 - 2391 |
|
~%
methyl 2-(2-met... 2006-80-6 |
| 文献:Leiby, Robert W. Journal of Organic Chemistry, 1985 , vol. 50, # 16 p. 2926 - 2929 |
|
~%
methyl 2-(2-met... 2006-80-6 |
| 文献:Serventi; Marchesi Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1957 , vol. 15, p. 114 |
|
~%
methyl 2-(2-met... 2006-80-6 |
| 文献:Leiby, Robert W. Journal of Organic Chemistry, 1985 , vol. 50, # 16 p. 2926 - 2929 |
|
~%
methyl 2-(2-met... 2006-80-6 |
| 文献:Leiby, Robert W. Journal of Organic Chemistry, 1985 , vol. 50, # 16 p. 2926 - 2929 |
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 6 | |
|---|---|
| 下游产品 1 | |
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: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
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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: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
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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.
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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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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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:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
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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: 2006-80-6的CAS号是多少? |
| A: 2006-80-6CAS号为2006-80-6。 |
| Q: 2006-80-6的极性表面积PSA是多少? |
| A: 2006-80-6极性表面积PSA为61.19000。 |
| Q: 2006-80-6的分子量是多少? |
| A: 2006-80-6分子量为294.30500。 |
| Q: 2006-80-6的下游产品有哪些? |
| A: 2006-80-6相关下游产品(CAS):4005-06-5。 |
| Q: 2006-80-6的上游原料有哪些? |
| A: 2006-80-6相关上游原料(CAS):64-17-5;64001-48-5;118-92-3;31499-90-8;134-20-3;89-52-1。 |
| Q: 2006-80-6的LogP(油水分配系数)是多少? |
| A: 2006-80-6LogP(油水分配系数)为2.48070。 |
| Q: 2006-80-6的英文名称是什么? |
| A: 2006-80-6英文名称为methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate。 |
| Q: 2006-80-6的InChIKey是什么? |
| A: 2006-80-6InChIKey为GWYMSEVUCVMJFZ-UHFFFAOYSA-N。 |
| Q: 2006-80-6的分子式是什么? |
| A: 2006-80-6分子式为C17H14N2O3。 |
| Q: 2006-80-6的中文名称是什么? |
| A: 2006-80-6的中文名称为2006-80-6。 |