4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide sodium

• ChemBase编号: 132304
• 分子式: C12H14N4NaO2S
• 平均质量: 301.31993
• 单一同位素质量: 301.07351599
• SMILES: Cc1cc(nc(n1)NS(=O)(=O)c1ccc(cc1)N)C.[Na]
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C.[Na]
• InChI: InChI=1S/C12H14N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: MNWVJNSMYXMEIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide sodium
• IUPAC传统名: sulfamethazine sodium
• 别名: 磺胺二甲基嘧啶 钠盐; 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; Sulfamethazine sodium salt

登记号

• CAS号: 1981-58-4
• EC号: 217-840-0
• MDL号: MFCD00068333
• PubChem SID: 24899666; 162226581
• PubChem CID: 16219973

理论计算性质

• Acid pKa: 6.99357
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.63772017
• LogD (pH = 7.4): 0.21068367
• Log P: 0.65000117
• 摩尔折射率: 73.3839 cm^3
• 极化性: 28.103605 Å^3
• 极化表面积: 97.97 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98%

详细说明

Sigma Aldrich - S5637

Application
Sulfamethazine is an antibiotic used to clinically treat bronchitis, prostatitis and urinary tract infections1. It is used in disposition and depletion kinetic studies2,3. It is used to develop detection techniques for quantification in fluids such as cows’ milk, honey and swine urine4.
Biochem/physiol Actions
Sulfamethazine is an antimicrobial sulfur drug that blocks the synthesis of dihydrofolic acid by inhibiting the enzyme dihydropteroate synthase. Sulfamethazine is a competitive inhibitor of bacterial para-aminobenzoic acid (PABA), which is required for bacterial synthesis of folic acid1. It induces CYP3A4 expression and is acetylated by N-acetyltransferase. It exhibits sex dependent pharmacokinetics, metabolized by the male specific isoform CYP2C11. Sulfamethazine is bacteriostatic.