ethyl 2-{[2-methyl-8-(4-methylbenzenesulfonamido)quinolin-6-yl]oxy}acetate

• ChemBase编号: 158631
• 分子式: C21H22N2O5S
• 平均质量: 414.47478
• 单一同位素质量: 414.12494281
• SMILES: CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c1ccc(cc1)C)C
• Canonical SMILES: CCOC(=O)COc1cc(NS(=O)(=O)c2ccc(cc2)C)c2c(c1)ccc(n2)C
• InChI: InChI=1S/C21H22N2O5S/c1-4-27-20(24)13-28-17-11-16-8-7-15(3)22-21(16)19(12-17)23-29(25,26)18-9-5-14(2)6-10-18/h5-12,23H,4,13H2,1-3H3
• InChIKey: KCASTCXJTDRDFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-{[2-methyl-8-(4-methylbenzenesulfonamido)quinolin-6-yl]oxy}acetate
• IUPAC传统名: ethyl 2-{[2-methyl-8-(4-methylbenzenesulfonamido)quinolin-6-yl]oxy}acetate
• 别名: Ethyl [2-methyl-8-[[(4-methylphenyl)sulfonyl]amino]-6-quinolinyl]oxy Acetate; Zinquin Ethyl Ester; 2-Methyl-8-[(4-methylphenyl)sulfonylamino]-6-(ethyloxycarbonylmethyloxy)quinoline; Zinquin ethyl ester

登记号

• CAS号: 181530-09-6
• MDL号: MFCD00797629
• PubChem SID: 162252767
• PubChem CID: 3638243

理论计算性质

• Acid pKa: 6.9908204
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 3.0378528
• LogD (pH = 7.4): 2.6391242
• Log P: 3.0863714
• 摩尔折射率: 108.5097 cm^3
• 极化性: 44.136864 Å^3
• 极化表面积: 94.59 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichlormethane; DMSO; DMSO: soluble; Ethanol; methanol: soluble
• 外观: off-white solid; White or Pale Blue Crystalline Solid
• 熔点: 112-114°C

安全信息

• 保存注意事项: Temperature Sensitive; Store at -20°C
• 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: 2-8°C

产品相关信息

• 纯度: ≥95% (HPLC)
• Empirical Formula (Hill Notation): C21H22N2O5S

详细说明

Sigma Aldrich - Z2251

Biochem/physiol Actions
Used to detect zinc in cells by UV fluorescence.

Toronto Research Chemicals - Z450000

A fluorescent reagent and indicator of intracellular zinc ions. An analogue of widely used indicator, TS-Q. Zinquin ethyl ester is membrane permeable therefore useful to detect intracellular zinc ions. Zinquin ethyl ester forms a complex with a zinc ion

参考文献

• Zalewski, P.D., et al.: Biochem.J., 296, 403 (1993)
• Zalewski, P.D., et al.: J. Histochem. Cytochem., 42, 877 (1993)
• Zalewski, P.D., et al.: Biochem.J., 303, 278 (1993)
• Zalewski, P.D., et al.: Chemistry & Biology, 1, 153 (1994)