{4-[(6-methoxy-2-methylquinolin-8-yl)sulfamoyl]benzoyloxy}methyl acetate

• ChemBase编号: 155604
• 分子式: C21H20N2O7S
• 平均质量: 444.4577
• 单一同位素质量: 444.09912199
• SMILES: Cc1ccc2cc(cc(c2n1)NS(=O)(=O)c1ccc(cc1)C(=O)OCOC(=O)C)OC
• Canonical SMILES: COc1cc(NS(=O)(=O)c2ccc(cc2)C(=O)OCOC(=O)C)c2c(c1)ccc(n2)C
• InChI: InChI=1S/C21H20N2O7S/c1-13-4-5-16-10-17(28-3)11-19(20(16)22-13)23-31(26,27)18-8-6-15(7-9-18)21(25)30-12-29-14(2)24/h4-11,23H,12H2,1-3H3
• InChIKey: ZCVIWNFCXWULOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {4-[(6-methoxy-2-methylquinolin-8-yl)sulfamoyl]benzoyloxy}methyl acetate
• IUPAC传统名: {4-[(6-methoxy-2-methylquinolin-8-yl)sulfamoyl]benzoyloxy}methyl acetate
• 别名: 4-[([6-Methoxy-2-methyl-8-quinolinyl]amino)sulfonyl]benzoic acid acetoxymethyl ester; TFLZn-AM

登记号

• MDL号: MFCD03453024
• PubChem SID: 162249742; 24900161
• PubChem CID: 4583682

理论计算性质

• 极化表面积: 120.89 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• Acid pKa: 6.627321
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.38638
• LogD (pH = 7.4): 1.8314002
• Log P: 2.456866
• 摩尔折射率: 110.1448 cm^3
• 极化性: 44.992516 Å^3

分子性质

理化性质

• 外观: pale yellow

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (TLC)

详细说明

Sigma Aldrich - T3695

Analysis Note
The TFLZn-Zn complex is fluorescent, with an excitation at 380 nm and emission at 510 nm.
Biochem/physiol Actions
Cell-permeant derivative of the intracellular Zn++ indicator
Caution
Protect from light