methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate

• 常用名: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate
• 英文名: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-pentanoate
• CAS号: 7404-85-5
• 分子量: 363.40600
• 密度: 1.174g/cm3
• 沸点: 567.4ºC at 760 mmHg
• 分子式: C₂₂H₂₁NO₄
• 熔点: N/A
• 闪点: 243.6ºC

名称

• 英文名: methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate

物理化学性质

• 密度: 1.174g/cm3
• 沸点: 567.4ºC at 760 mmHg
• 分子式: C₂₂H₂₁NO₄
• 分子量: 363.40600
• 闪点: 243.6ºC
• 精确质量: 363.14700
• PSA: 84.23000
• LogP: 3.99558
• InChIKey: IHHWCIFPTKGKEP-UHFFFAOYSA-N
• SMILES: COC(=O)C(C#N)(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1
• 折射率: 1.559

靶点实验

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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

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

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

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

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

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

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

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

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

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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英文别名

• 2-Cyan-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeriansaeure-methylester
• 2-cyano-5-oxo-2-(3-oxo-3-phenyl-propyl)-5-phenyl-valeric acid methyl ester
• 3-Methoxycarbonyl-3-cyan-1,5-dibenzoyl-pentan
• Bis-(3-oxo-3-phenyl-propyl)-malonsaeure-methylester-nitril
• METHYL 2-CYANO-5-OXO-2-(3-OXO-3-PHENYL-PROPYL)-5-PHENYL-PENTANOATE