3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-diethyl ester

• 常用名: 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-diethyl ester
• 英文名: 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-diethyl ester
• CAS号: 21829-28-7
• 分子量: 374.38800
• 密度: 1.226g/cm3
• 沸点: 499.8ºC at 760mmHg
• 分子式: C₁₉H₂₂N₂O₆
• 熔点: N/A
• 闪点: 256.1ºC

名称

• 英文名: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

物理化学性质

• 密度: 1.226g/cm3
• 沸点: 499.8ºC at 760mmHg
• 分子式: C₁₉H₂₂N₂O₆
• 分子量: 374.38800
• 闪点: 256.1ºC
• 精确质量: 374.14800
• PSA: 110.45000
• LogP: 3.80780
• InChIKey: ITAOFSSOVNYZCS-UHFFFAOYSA-N
• SMILES: CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
• 蒸汽压: 4.02E-10mmHg at 25°C
• 折射率: 1.549

安全信息

• 海关编码: 2933399090

海关

• 海关编码: 2933399090
• 中文概述: 2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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：Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK ... 来源：ChEMBL 靶标：Adenosine receptor A3 External Id：CHEMBL645775

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：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：Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuron... 来源：ChEMBL 靶标：Beta-glucuronidase External Id：CHEMBL3412769

实验名称：Cytotoxicity against rat 3T3 cells by MTT assay 来源：ChEMBL 靶标：3T3 External Id：CHEMBL3412770

实验名称：Inhibition of purified bovine erythrocyte carbonic anhydrase 2 using 4-PNA as substra... 来源：ChEMBL 靶标：Carbonic anhydrase 2 External Id：CHEMBL3412767

实验名称：Inhibition of snake venom phosphodiesterase-1 using bis-(p-nitropheny1) phosphate as ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3412768

实验名称：Ratio of acarbose IC50 to compound IC50 for Saccharomyces cerevisiae alpha-glucosidas... 来源：ChEMBL 靶标：Oligo-1,6-glucosidase IMA1 External Id：CHEMBL3412771

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英文别名

• 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylicacid diethyl ester
• Diethyl 4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
• diethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate
• diethyl 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine 3,5-dicarboxylate
• 2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester