1-环丙基-6,7-二氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸

• 常用名: 1-环丙基-6,7-二氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸
• 英文名: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
• CAS号: 112811-72-0
• 分子量: 295.238
• 密度: 1.6±0.1 g/cm3
• 沸点: 474.4±45.0 °C at 760 mmHg
• 分子式: C₁₄H₁₁F₂NO₄
• 熔点: 192-194ºC
• 闪点: 240.7±28.7 °C

名称

• 中文名: 1-环丙基-6,7-二氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸
• 英文名: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
• 中文别名: 喹啉羧酸 | 6-氟加替沙星 | 莫西沙星相关物质 | 1-环丙基-6,7-二氟-8-甲氧基-4-氧-3-喹啉羧酸 | 莫西羧酸 | 加替沙星中间体 | 莫西沙星母核

物理化学性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 474.4±45.0 °C at 760 mmHg
• 熔点: 192-194ºC
• 分子式: C₁₄H₁₁F₂NO₄
• 分子量: 295.238
• 闪点: 240.7±28.7 °C
• 精确质量: 295.065613
• PSA: 68.53000
• LogP: 1.33
• InChIKey: WQJZXSSAMGZVTM-UHFFFAOYSA-N
• SMILES: COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
• 外观性状: 灰白色至淡黄色粉末
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.630
• 储存条件: Refrigerator

安全信息

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 22
• 海关编码: 2918990090

海关

• 海关编码: 2918990090
• 中文概述: 2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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:30.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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：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

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英文别名

• EINECS 214-439-2
• 1-Cyclopropyl-6,7-Difluoro-8-Methoxy-4-Oxo-1,4-dihydroquinoline-3-carboxylic acid
• 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
• MFCD05864420
• 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid