6-氨基-5-氰基-2-甲基-4-苯基-4H-吡喃-3-羧酸乙酯

• 常用名: 6-氨基-5-氰基-2-甲基-4-苯基-4H-吡喃-3-羧酸乙酯
• 英文名: ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate
• CAS号: 72568-47-9
• 分子量: 284.31000
• 密度: 1.24g/cm3
• 沸点: 497.2ºC at 760 mmHg
• 分子式: C₁₆H₁₆N₂O₃
• 熔点: 189ºC
• 闪点: 254.5ºC

名称

• 中文名: 6-氨基-5-氰基-2-甲基-4-苯基-4H-吡喃-3-羧酸乙酯
• 英文名: ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate

物理化学性质

• 密度: 1.24g/cm3
• 沸点: 497.2ºC at 760 mmHg
• 熔点: 189ºC
• 分子式: C₁₆H₁₆N₂O₃
• 分子量: 284.31000
• 闪点: 254.5ºC
• 精确质量: 284.11600
• PSA: 85.34000
• LogP: 3.03168
• InChIKey: XTMWVOYEFHWDDN-UHFFFAOYSA-N
• SMILES: CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1
• 折射率: 1.588

MSDS

MSDS英文版

安全信息

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37

靶点实验

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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

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

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：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

实验名称：Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);... 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL4296184

实验名称：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

实验名称：Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA... 来源：ChEMBL 靶标：Escherichia coli External Id：CHEMBL4296185

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.

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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英文别名

• 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester
• 2-amino-3-cyano-6-methyl-4-phenyl-4H-pyran-5-carboxylic acid ethyl ester
• ethyl 2-amino-3-cyano-6-methyl-4-phenyl-4H-pyran-5-carboxylate
• ethyl-6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate
• 5-ethoxycarbonyl-2-amino-4-phenyl-3-cyano-6-methyl-4H-pyran
• ethyl 6-amino-5-cynano-2-methyl-4-phenyl-4H-pyran-3-carboxylate