2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one结构式
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常用名 | 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one | 英文名 | 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one |
|---|---|---|---|---|
| CAS号 | 74809-00-0 | 分子量 | 206.24400 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C10H14N4O | 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 | 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-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。
| 分子式 | C10H14N4O |
|---|---|
| 分子量 | 206.24400 |
| 精确质量 | 206.11700 |
| PSA | 47.61000 |
| LogP | 1.22500 |
| InChIKey | DLBKJGAAXYOKMT-UHFFFAOYSA-N |
| SMILES | CN1NC(c2ccccc2)NN(C)C1=O |
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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~87%
2,4-dimethyl-6-... 74809-00-0 |
| 文献:Bancerz, Matthew; Youn, Beom; Dacosta, Matthew V.; Georges, Michael K. Journal of Organic Chemistry, 2012 , vol. 77, # 5 p. 2415 - 2421 |
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~74%
2,4-dimethyl-6-... 74809-00-0 |
| 文献:Milcent, Rene; Barbier, Geo; Capelle, Sylvie; Catteau, Jean-Pierre Journal of Heterocyclic Chemistry, 1994 , vol. 31, # 2 p. 319 - 324 |
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~78%
2,4-dimethyl-6-... 74809-00-0 |
| 文献:Neugebauer, Franz Alfred; Fischer, Hans; Siegel, Rolf; Krieger, Claus Chemische Berichte, 1983 , vol. 116, # 10 p. 3461 - 3481 |
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~%
2,4-dimethyl-6-... 74809-00-0 |
| 文献:Bancerz, Matthew; Youn, Beom; Dacosta, Matthew V.; Georges, Michael K. Journal of Organic Chemistry, 2012 , vol. 77, # 5 p. 2415 - 2421 |
|
~%
2,4-dimethyl-6-... 74809-00-0 |
| 文献:Bancerz, Matthew; Youn, Beom; Dacosta, Matthew V.; Georges, Michael K. Journal of Organic Chemistry, 2012 , vol. 77, # 5 p. 2415 - 2421 |
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 | |
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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: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: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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实验名称:Identification of agents that induce E-selectin on human endothelial cells Measured i...
来源:Broad Institute
靶标:E-Selectin
External Id:2152-01_Activator_SinglePoint_HTS_Activity
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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: 74809-00-0的CAS号是多少? |
| A: 74809-00-0CAS号为74809-00-0。 |
| Q: 74809-00-0的分子量是多少? |
| A: 74809-00-0分子量为206.24400。 |
| Q: 74809-00-0的LogP(油水分配系数)是多少? |
| A: 74809-00-0LogP(油水分配系数)为1.22500。 |
| Q: 74809-00-0的英文名称是什么? |
| A: 74809-00-0英文名称为2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one。 |
| Q: 74809-00-0的分子式是什么? |
| A: 74809-00-0分子式为C10H14N4O。 |
| Q: 74809-00-0的SMILES表达式是什么? |
| A: 74809-00-0SMILES表达式为CN1NC(c2ccccc2)NN(C)C1=O。 |
| Q: 74809-00-0的上游原料有哪些? |
| A: 74809-00-0相关上游原料(CAS):13782-37-1;13915-68-9;60-34-4;100-52-7;4114-25-4。 |
| Q: 74809-00-0的中文名称是什么? |
| A: 74809-00-0的中文名称为74809-00-0。 |
| Q: 74809-00-0的极性表面积PSA是多少? |
| A: 74809-00-0极性表面积PSA为47.61000。 |
| Q: 74809-00-0的InChIKey是什么? |
| A: 74809-00-0InChIKey为DLBKJGAAXYOKMT-UHFFFAOYSA-N。 |