methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate结构式
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常用名 | methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate | 英文名 | methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate |
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| CAS号 | 24246-07-9 | 分子量 | 232.23500 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H12N2O3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
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-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate |
|---|---|
| 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。
| 分子式 | C12H12N2O3 |
|---|---|
| 分子量 | 232.23500 |
| 精确质量 | 232.08500 |
| PSA | 58.97000 |
| LogP | 0.84300 |
| InChIKey | RJIDGRHOHFDKKB-UHFFFAOYSA-N |
| SMILES | COC(=O)CC1=NN(c2ccccc2)C(=O)C1 |
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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~62%
methyl 2-(5-oxo... 24246-07-9 |
| 文献:Bevk, David; Jakse, Renata; Svete, Jurij; Golobic, Amalija; Golic, Ljubo; Stanovnik, Branko Heterocycles, 2003 , vol. 61, p. 197 - 223 |
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 | |
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| 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: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
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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:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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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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。
| methyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate |
| methyl 2-(5-oxo-1-phenyl-2-pyrazolin-3-yl)acetate |
| methyl 2-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate |
| (5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-acetic acid methyl ester |
| HMS2721J14 |
| HMS1551F12 |
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: 24246-07-9的极性表面积PSA是多少? |
| A: 24246-07-9极性表面积PSA为58.97000。 |
| Q: 24246-07-9有哪些英文别名? |
| A: 24246-07-9英文别名有:methyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate、 methyl 2-(5-oxo-1-phenyl-2-pyrazolin-3-yl)acetate、 methyl 2-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate、 (5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)-acetic acid methyl ester、 HMS2721J14、 HMS1551F12。 |
| Q: 24246-07-9的中文名称是什么? |
| A: 24246-07-9的中文名称为24246-07-9。 |
| Q: 24246-07-9的CAS号是多少? |
| A: 24246-07-9CAS号为24246-07-9。 |
| Q: 24246-07-9的分子式是什么? |
| A: 24246-07-9分子式为C12H12N2O3。 |
| Q: 24246-07-9的InChIKey是什么? |
| A: 24246-07-9InChIKey为RJIDGRHOHFDKKB-UHFFFAOYSA-N。 |
| Q: 24246-07-9的SMILES表达式是什么? |
| A: 24246-07-9SMILES表达式为COC(=O)CC1=NN(c2ccccc2)C(=O)C1。 |
| Q: 24246-07-9的上游原料有哪些? |
| A: 24246-07-9相关上游原料(CAS):1830-54-2;100-63-0。 |
| Q: 24246-07-9的英文名称是什么? |
| A: 24246-07-9英文名称为methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate。 |
| Q: 24246-07-9的LogP(油水分配系数)是多少? |
| A: 24246-07-9LogP(油水分配系数)为0.84300。 |
本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。
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