1,1-dibenzyl-3-phenylurea结构式
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常用名 | 1,1-dibenzyl-3-phenylurea | 英文名 | 1,1-dibenzyl-3-phenylurea |
|---|---|---|---|---|
| CAS号 | 53693-57-5 | 分子量 | 316.39600 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C21H20N2O | 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 | 1,1-dibenzyl-3-phenylurea |
|---|---|
| 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 | C21H20N2O |
|---|---|
| 分子量 | 316.39600 |
| 精确质量 | 316.15800 |
| PSA | 35.83000 |
| LogP | 4.93450 |
| InChIKey | PTHTXCJHLYXEMB-UHFFFAOYSA-N |
| SMILES | O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |
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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~99%
1,1-dibenzyl-3-... 53693-57-5 |
| 文献:Doyle, Michael P.; Pieters, Roland J.; Taunton, Jack; Pho, Hoan Q.; Padwa, Albert; et al. Journal of Organic Chemistry, 1991 , vol. 56, # 18 p. 820 - 829 |
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~95%
1,1-dibenzyl-3-... 53693-57-5 |
| 文献:Hosseinzadeh, Rahman; Sarrafi, Yaghoub; Aghili, Nora Chinese Chemical Letters, 2010 , vol. 21, # 10 p. 1171 - 1174 |
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~%
1,1-dibenzyl-3-... 53693-57-5 |
| 文献:Mukaiyama; Hoshino Journal of the American Chemical Society, 1956 , vol. 78, p. 1946 |
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~%
1,1-dibenzyl-3-... 53693-57-5 |
| 文献:Hammerich Chemische Berichte, 1892 , vol. 25, p. 1822 |
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~%
1,1-dibenzyl-3-... 53693-57-5 |
| 文献:Hammerich Chemische Berichte, 1892 , vol. 25, p. 1822 |
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1,1-dibenzyl-3-... 53693-57-5
查看详情
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| 文献:Chimishkyan, A. L.; Gulyaev, N. D.; Leonova, T. V. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 1.1 p. 20 - 24 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 1 p. 24 - 29 |
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。
| 1,1-dibenzyl-3-phenylurea上游产品 6 | |
|---|---|
| 1,1-dibenzyl-3-phenylurea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: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: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:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_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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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。
| N,N-Dibenzyl-N'-phenyl-harnstoff |
| 1,1-Dibenzyl-3-phenylharnstoff |
| N,N-dibenzyl-N'-phenylurea |
| N'-phenyl-N,N-bis(phenylmethyl)urea |
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: 53693-57-5的下游产品有哪些? |
| A: 53693-57-5相关下游产品(CAS):102-07-8;103-49-1。 |
| Q: 53693-57-5的SMILES表达式是什么? |
| A: 53693-57-5SMILES表达式为O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1。 |
| Q: 53693-57-5的英文名称是什么? |
| A: 53693-57-5英文名称为1,1-dibenzyl-3-phenylurea。 |
| Q: 53693-57-5的InChIKey是什么? |
| A: 53693-57-5InChIKey为PTHTXCJHLYXEMB-UHFFFAOYSA-N。 |
| Q: 53693-57-5的LogP(油水分配系数)是多少? |
| A: 53693-57-5LogP(油水分配系数)为4.93450。 |
| Q: 53693-57-5的分子式是什么? |
| A: 53693-57-5分子式为C21H20N2O。 |
| Q: 53693-57-5的上游原料有哪些? |
| A: 53693-57-5相关上游原料(CAS):103-71-9;103-49-1;64-10-8;3422-02-4;25370-09-6;102-07-8。 |
| Q: 53693-57-5有哪些英文别名? |
| A: 53693-57-5英文别名有:N,N-Dibenzyl-N'-phenyl-harnstoff、 1,1-Dibenzyl-3-phenylharnstoff、 N,N-dibenzyl-N'-phenylurea、 N'-phenyl-N,N-bis(phenylmethyl)urea。 |
| Q: 53693-57-5的CAS号是多少? |
| A: 53693-57-5CAS号为53693-57-5。 |
| Q: 53693-57-5的极性表面积PSA是多少? |
| A: 53693-57-5极性表面积PSA为35.83000。 |