N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide结构式
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常用名 | N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide | 英文名 | N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide |
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| CAS号 | 50966-08-0 | 分子量 | 388.61100 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C13H17Cl3NO4P | 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 | N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide |
|---|---|
| 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 | C13H17Cl3NO4P |
|---|---|
| 分子量 | 388.61100 |
| 精确质量 | 386.99600 |
| PSA | 77.93000 |
| LogP | 4.95360 |
| InChIKey | MPCNYOLLUFDJBR-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(OCC)C(NC(=O)c1ccccc1)C(Cl)(Cl)Cl |
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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~66%
N-(2,2,2-trichl... 50966-08-0 |
| 文献:Onys'ko Russian Chemical Bulletin, 1998 , vol. 47, # 9 p. 1763 - 1767 |
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~%
N-(2,2,2-trichl... 50966-08-0 |
| 文献:Golovchenko, Aleksandr V.; Pilyo, Stepan G.; Brovarets, Vladimir S.; Chernega, Alexander N.; Drach, Boris S. Synthesis, 2003 , # 18 p. 2851 - 2857 |
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 4 | |
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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: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: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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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。
| Diethyl-2,2,2-trichlor-1-bnzoylamino-ethylphosphonat |
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: 50966-08-0有哪些英文别名? |
| A: 50966-08-0英文别名有:Diethyl-2,2,2-trichlor-1-bnzoylamino-ethylphosphonat。 |
| Q: 50966-08-0的上游原料有哪些? |
| A: 50966-08-0相关上游原料(CAS):589-57-1;6316-07-0;6798-35-2;122-52-1。 |
| Q: 50966-08-0的英文名称是什么? |
| A: 50966-08-0英文名称为N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide。 |
| Q: 50966-08-0的InChIKey是什么? |
| A: 50966-08-0InChIKey为MPCNYOLLUFDJBR-UHFFFAOYSA-N。 |
| Q: 50966-08-0的LogP(油水分配系数)是多少? |
| A: 50966-08-0LogP(油水分配系数)为4.95360。 |
| Q: 50966-08-0的中文名称是什么? |
| A: 50966-08-0的中文名称为50966-08-0。 |
| Q: 50966-08-0的SMILES表达式是什么? |
| A: 50966-08-0SMILES表达式为CCOP(=O)(OCC)C(NC(=O)c1ccccc1)C(Cl)(Cl)Cl。 |
| Q: 50966-08-0的分子量是多少? |
| A: 50966-08-0分子量为388.61100。 |
| Q: 50966-08-0的CAS号是多少? |
| A: 50966-08-0CAS号为50966-08-0。 |
| Q: 50966-08-0的极性表面积PSA是多少? |
| A: 50966-08-0极性表面积PSA为77.93000。 |