potassium 4-[(6-methoxy-2-methylquinolin-8-yl)sulfamoyl]benzoate

• ChemBase编号: 155603
• 分子式: C18H15KN2O5S
• 平均质量: 410.4854
• 单一同位素质量: 410.03387427
• SMILES: Cc1ccc2cc(cc(c2n1)NS(=O)(=O)c1ccc(cc1)C(=O)[O-])OC.[K+]
• Canonical SMILES: COc1cc(NS(=O)(=O)c2ccc(cc2)C(=O)[O-])c2c(c1)ccc(n2)C.[K+]
• InChI: InChI=1S/C18H16N2O5S.K/c1-11-3-4-13-9-14(25-2)10-16(17(13)19-11)20-26(23,24)15-7-5-12(6-8-15)18(21)22;/h3-10,20H,1-2H3,(H,21,22);/q;+1/p-1
• InChIKey: YNGNXRJCOYOGHQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 4-[(6-methoxy-2-methylquinolin-8-yl)sulfamoyl]benzoate
• IUPAC传统名: potassium 4-[(6-methoxy-2-methylquinolin-8-yl)sulfamoyl]benzoate
• 别名: TFLZn potassium salt

登记号

• CAS号: 191674-11-0(freeacid)
• MDL号: MFCD00270910
• PubChem SID: 162249741; 24900144
• PubChem CID: 44594139

理论计算性质

• Acid pKa: 3.468022
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 0.2639451
• LogD (pH = 7.4): -1.5045438
• Log P: 1.165678
• 摩尔折射率: 105.9595 cm^3
• 极化性: 38.332676 Å^3
• 极化表面积: 108.42 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: tan

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)
• Empirical Formula (Hill Notation): C18H15KN2O5S

详细说明

Sigma Aldrich - T3445

Analysis Note
The TFLZn-Zn complex is fluorescent, with an excitation at 380 nm and emission at 510 nm.
Biochem/physiol Actions
May be used to measure intracellular Zn++ levels
Caution
Protect from light