2-氯乙酰基-6,7-二甲氧基-1,2,3,4-四氢异喹啉

• 常用名: 2-氯乙酰基-6,7-二甲氧基-1,2,3,4-四氢异喹啉
• 英文名: 2-(CHLOROACETYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
• CAS号: 111631-72-2
• 分子量: 269.72400
• 密度: 1.237g/cm3
• 沸点: 435.2ºC at 760mmHg
• 分子式: C₁₃H₁₆ClNO₃
• 熔点: N/A
• 闪点: 217ºC

名称

• 中文名: 2-氯乙酰基-6,7-二甲氧基-1,2,3,4-四氢异喹啉
• 英文名: 2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

物理化学性质

• 密度: 1.237g/cm3
• 沸点: 435.2ºC at 760mmHg
• 分子式: C₁₃H₁₆ClNO₃
• 分子量: 269.72400
• 闪点: 217ºC
• 精确质量: 269.08200
• PSA: 38.77000
• LogP: 1.76520
• InChIKey: KHDGBPOMQWRELV-UHFFFAOYSA-N
• SMILES: COc1cc2c(cc1OC)CN(C(=O)CCl)CC2
• 蒸汽压: 8.95E-08mmHg at 25°C
• 折射率: 1.549

安全信息

• 海关编码: 2933499090

海关

• 海关编码: 2933499090
• 中文概述: 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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: 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. 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：Inhibition of Escherichia coli MurA assessed as residual activity at 100 uM using UNA... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4682075

实验名称：Inhibition of Staphylococcus aureus MurA expressed in Escherichia coli assessed as re... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4682074

实验名称：Inhibition of recombinant cathepsin B (unknown origin) endopeptidase activity express... 来源：ChEMBL 靶标：Cathepsin B External Id：CHEMBL4682077

实验名称：Inhibition of Escherichia coli MurA assessed as residual activity at 100 uM using UNA... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4682076

实验名称：Inhibition of recombinant cathepsin X (unknown origin) expressed in Pichia pastoris a... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4682079

实验名称：Inhibition of recombinant cathepsin B (unknown origin) exopeptidase activity expresse... 来源：ChEMBL 靶标：Cathepsin B External Id：CHEMBL4682078

实验名称：GSH reactivity in pH 7.4 PBS buffer assessed as half life in presence of glutathione ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4682080

实验名称：Stability of the compound in pH 7.4 PBS buffer assessed as oligopeptide-conversion at... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4682084

实验名称：High Throughput Screening of small molecules that kill Mycobacterium tuberculosis 来源：15607 靶标：N/A External Id：Cornell_MTB_2017

实验名称：Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu... 来源：15621 靶标：G protein-activated inward rectifier potassium channel 2 External Id：VANDERBILT_HTS_GIRK2_MPD

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