1-phenyl-3-pyridin-2-yl-propane-1,3-dione结构式
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常用名 | 1-phenyl-3-pyridin-2-yl-propane-1,3-dione | 英文名 | 1-phenyl-3-pyridin-2-yl-propane-1,3-dione |
|---|---|---|---|---|
| CAS号 | 10472-94-3 | 分子量 | 225.24300 | |
| 密度 | 1.184g/cm3 | 沸点 | 403.5ºC at 760 mmHg | |
| 分子式 | C14H11NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 200.1ºC |
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 | 1-phenyl-3-pyridin-2-ylpropane-1,3-dione |
|---|---|
| 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 | 1.184g/cm3 |
|---|---|
| 沸点 | 403.5ºC at 760 mmHg |
| 分子式 | C14H11NO2 |
| 分子量 | 225.24300 |
| 闪点 | 200.1ºC |
| 精确质量 | 225.07900 |
| PSA | 47.03000 |
| LogP | 2.53730 |
| InChIKey | YUHLPAVLOLEXJK-UHFFFAOYSA-N |
| SMILES | O=C(CC(=O)c1ccccn1)c1ccccc1 |
| 蒸汽压 | 1.02E-06mmHg at 25°C |
| 折射率 | 1.587 |
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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~%
1-phenyl-3-pyri... 10472-94-3 |
| 文献:Muller, Keven; Sun, Yu; Heimermann, Andreas; Menges, Fabian; Niedner-Schatteburg, Gereon; Van Wuellen, Christoph; Thiel, Werner R. Chemistry - A European Journal, 2013 , vol. 19, # 24 p. 7825 - 7834 |
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~70%
1-phenyl-3-pyri... 10472-94-3 |
| 文献:Dudek, Melanie; Clegg, Jack K.; Glasson, Christopher R. K.; Kelly, Norman; Glou, Kerstin; Gloe, Karsten; Kelling, Alexandra; Buschmann, Hans-Juergen; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V. Crystal Growth and Design, 2011 , vol. 11, # 5 p. 1697 - 1704 |
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~33%
1-phenyl-3-pyri... 10472-94-3 |
| 文献:Murai, Masahito; Kitabata, Sachie; Okamoto, Kazuhiro; Ohe, Kouichi Chemical Communications, 2012 , vol. 48, # 61 p. 7622 - 7624 |
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~%
1-phenyl-3-pyri... 10472-94-3 |
| 文献:Levine; Sneed Journal of the American Chemical Society, 1951 , vol. 73, p. 5614 |
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~%
1-phenyl-3-pyri... 10472-94-3 |
| 文献:Murai, Masahito; Kitabata, Sachie; Okamoto, Kazuhiro; Ohe, Kouichi Chemical Communications, 2012 , vol. 48, # 61 p. 7622 - 7624 |
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 5 | |
|---|---|
| 下游产品 2 | |
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: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:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
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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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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。
| 1-Phenyl-3-(2-pyridyl)-1,3-propanedione |
| 3-hydroxy-1-phenyl-3-(pyrid-2-yl)prop-2-ene-1-one |
| HMS3078C12 |
| 1-phenyl-3-(pyridin-2-yl)propane-1,3-dione |
| 1-phenyl-3-(2-pyridyl)-1,3-propandione |
| 1-phenyl-3-(2-pyridyl) propane-1,3-dione |
| 1-phenyl-3-(pyridyn-2-yl)propane-1,3-dione |
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: 10472-94-3的InChIKey是什么? |
| A: 10472-94-3InChIKey为YUHLPAVLOLEXJK-UHFFFAOYSA-N。 |
| Q: 10472-94-3的英文名称是什么? |
| A: 10472-94-3英文名称为1-phenyl-3-pyridin-2-ylpropane-1,3-dione。 |
| Q: 10472-94-3的中文名称是什么? |
| A: 10472-94-3的中文名称为10472-94-3。 |
| Q: 10472-94-3的沸点是多少? |
| A: 10472-94-3沸点为403.5ºC at 760 mmHg。 |
| Q: 10472-94-3的下游产品有哪些? |
| A: 10472-94-3相关下游产品(CAS):85903-33-9;62218-63-7。 |
| Q: 10472-94-3的分子量是多少? |
| A: 10472-94-3分子量为225.24300。 |
| Q: 10472-94-3的SMILES表达式是什么? |
| A: 10472-94-3SMILES表达式为O=C(CC(=O)c1ccccn1)c1ccccc1。 |
| Q: 10472-94-3的极性表面积PSA是多少? |
| A: 10472-94-3极性表面积PSA为47.03000。 |
| Q: 10472-94-3的上游原料有哪些? |
| A: 10472-94-3相关上游原料(CAS):2524-52-9;98-86-2;2459-07-6;98-98-6;55690-01-2。 |
| Q: 10472-94-3的分子式是什么? |
| A: 10472-94-3分子式为C14H11NO2。 |