4-(4-氯苯基)-4-氧代-2-苯基丁腈结构式
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常用名 | 4-(4-氯苯基)-4-氧代-2-苯基丁腈 | 英文名 | 4-(4-chlorophenyl)-4-oxo-2-phenyl-butanenitrile |
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| CAS号 | 6273-45-6 | 分子量 | 269.72600 | |
| 密度 | 1.221g/cm3 | 沸点 | 466.1ºC at 760 mmHg | |
| 分子式 | C16H12ClNO | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 235.7ºC |
| 中文名 | 4-(4-氯苯基)-4-氧代-2-苯基丁腈 |
|---|---|
| 英文名 | 4-(4-chlorophenyl)-4-oxo-2-phenylbutanenitrile |
| 密度 | 1.221g/cm3 |
|---|---|
| 沸点 | 466.1ºC at 760 mmHg |
| 分子式 | C16H12ClNO |
| 分子量 | 269.72600 |
| 闪点 | 235.7ºC |
| 精确质量 | 269.06100 |
| PSA | 40.86000 |
| LogP | 4.22018 |
| InChIKey | MLVQTZJXXMILIV-UHFFFAOYSA-N |
| SMILES | N#CC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 |
| 折射率 | 1.593 |
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~72%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Iida, Hirokazu; Moromizato, Tatsuya; Hamana, Hiroshi; Matsumoto, Kiyoshi Tetrahedron Letters, 2007 , vol. 48, # 11 p. 2037 - 2039 |
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~90%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Lin, Shaoxia; Wei, Ying; Liang, Fushun Chemical Communications, 2012 , vol. 48, # 79 p. 9879 - 9881 |
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~86%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Li, Zheng; Liu, Chenhui; Zhang, Yupeng; Li, Rongzhi; Ma, Ben; Yang, Jingya Synlett, 2012 , vol. 23, # 17 p. 2567 - 2571 |
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~60%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Fateen, A.K.; Moustafa, A.H.; Kaddah, A.M.; Shams, N.A. Synthesis, 1980 , # 6 p. 457 - 460 |
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~%
4-(4-氯苯基)-4-氧代-... 6273-45-6 |
| 文献:Betts; Davey Journal of the Chemical Society, 1958 , p. 4193,4195 |
| 4-(4-氯苯基)-4-氧代-2-苯基丁腈上游产品 7 | |
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| 4-(4-氯苯基)-4-氧代-2-苯基丁腈下游产品 1 | |
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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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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...
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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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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...
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靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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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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来源:Broad Institute
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External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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