sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

• ChemBase编号: 155656
• 分子式: C10H11N4NaO5S
• 平均质量: 322.27291
• 单一同位素质量: 322.03478475
• SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])Cn1ccnn1.[Na+]
• Canonical SMILES: [O-]C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1.[Na+]
• InChI: InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1
• InChIKey: RFMIKMMOLPNEDG-QVUDESDKSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4λ^6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• IUPAC传统名: sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1,2,3-triazol-1-ylmethyl)-4λ^6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• 别名: CL-298741; YTR-830H; [2S-(2α, 3β, 5α)]-3-Methyl-7-oxo-3(1H,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; Tazobactam sodium salt; (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4,4-dioxide Sodium Salt; YTR-830; CL-307579; Tazobactam Sodium Salt

登记号

• CAS号: 89785-84-2
• MDL号: MFCD00917472
• PubChem SID: 162249794
• PubChem CID: 23663400

理论计算性质

• Acid pKa: 2.8620825
• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): -3.9903479
• LogD (pH = 7.4): -4.8887963
• Log P: -1.3995085
• 摩尔折射率: 85.6524 cm^3
• 极化性: 25.66645 Å^3
• 极化表面积: 125.29 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, clear, colorless; Methanol; Water
• 外观: White Solid
• 熔点: >150°C dec.

安全信息

• 保存条件: Refrigerator
• RTECS编号: XI0191500
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• Empirical Formula (Hill Notation): C10H11N4NaO5S

详细说明

Sigma Aldrich - T2820

Biochem/physiol Actions
Tazobactam is a β -Lactamase inhibitor. When used with β-lactam antibiotics I, it enhances their effect.
Application
Tazobactam is an antibacterial penicillin derivative which inhibits the action of bacterial β-lactamases. It is used in combination with piperacillin and other β-lactam antibiotics to broaden their spectrum and enhance their effect1,2. It is used for bacterial β-lactamase and penicillinase inhibition studies.

Toronto Research Chemicals - T010100

β-Lactamase inhibitor, used with β-lactam antibiotics to enhance their effect.

参考文献

• Gould, I.M., et al.: Drugs Exp. Clin. Res., 17, 187 (1991)
• Roland, R.K., et al.: J. Infect. Dis., 4, 226 (1991)
• Bonomo, R.A., et al.: Biochim. Biophys. Acta, 1547, 196 (1991)