5-[(3-甲氧基苯基氨基)亚甲基]-2,2-二甲基-1,3-二噁烷-4,6-二酮结构式
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常用名 | 5-[(3-甲氧基苯基氨基)亚甲基]-2,2-二甲基-1,3-二噁烷-4,6-二酮 | 英文名 | 5-[(3-Methoxyphenylamino)Methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
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| CAS号 | 213699-52-6 | 分子量 | 277.27300 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C14H15NO5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 5-[(3-甲氧基苯基氨基)亚甲基]-2,2-二甲基-1,3-二噁烷-4,6-二酮 |
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| 英文名 | 5-{[(3-Methoxyphenyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4, 6-dione |
| 中文别名 | 2,2-二甲基-5-[(3-甲氧基苯基氨基)亚甲基]-1,3-二氧六环-4,6-二酮 |
| 英文别名 | 更多 |
| 分子式 | C14H15NO5 |
|---|---|
| 分子量 | 277.27300 |
| 精确质量 | 277.09500 |
| PSA | 73.86000 |
| LogP | 1.90010 |
| InChIKey | VJUROJBWDHBLOX-UHFFFAOYSA-N |
| SMILES | COc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 |
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~94%
5-[(3-甲氧基苯基氨基)亚... 213699-52-6 |
| 文献:Nsumiwa, Samkele; Kuter, David; Wittlin, Sergio; Chibale, Kelly; Egan, Timothy J. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3738 - 3748 |
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~97%
5-[(3-甲氧基苯基氨基)亚... 213699-52-6 |
| 文献:Hill, Lawrence; Imam, S. Haider; McNab, Hamish; O'Neill, William J. Synlett, 2009 , # 11 p. 1847 - 1851 |
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~92%
5-[(3-甲氧基苯基氨基)亚... 213699-52-6 |
| 文献:BRISTOL-MYERS SQUIBB COMPANY Patent: WO2003/99274 A1, 2003 ; Location in patent: Page 512-513 ; WO 03/099274 A1 |
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~68%
5-[(3-甲氧基苯基氨基)亚... 213699-52-6 |
| 文献:Zicane; Ravina; Tetere; Rijkure; Petrova; Kalejs Chemistry of Heterocyclic Compounds, 2002 , vol. 38, # 7 p. 840 - 845 |
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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: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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