sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-[(2R)-2-phenyl-2-sulfonatoacetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium

• ChemBase编号: 106048
• 分子式: C22H19N4NaO8S2
• 平均质量: 554.52803
• 单一同位素质量: 554.05419987
• SMILES: [Na+].O=C1N2C(=C(CS[C@@H]2[C@@H]1NC(=O)[C@@H](c1ccccc1)S(=O)(=O)[O-])C[n+]1ccc(C(=O)N)cc1)C(=O)[O-]
• Canonical SMILES: O=C([C@H](S(=O)(=O)[O-])c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N.[Na+]
• InChI: InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1
• InChIKey: REACMANCWHKJSM-DWBVFMGKSA-M

名称和登记号

名称

• IUPAC标准名: sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-[(2R)-2-phenyl-2-sulfonatoacetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
• IUPAC传统名: sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-[(2R)-2-phenyl-2-sulfonatoacetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
• 别名: Cefsulodin sodium salt hydrate; CEFSULODIN SODIUM SALT

登记号

• CAS号: 52152-93-9
• EC号: 257-692-4
• MDL号: MFCD07793338
• PubChem SID: 24278340; 162092710
• PubChem CID: 656644

理论计算性质

• Acid pKa: -1.0812536
• 质子受体: 8
• 质子供体: 2
• LogD (pH = 5.5): -7.435669
• LogD (pH = 7.4): -7.4622836
• Log P: -5.785873
• 摩尔折射率: 138.3214 cm^3
• 极化性: 49.44992 Å^3
• 极化表面积: 193.71 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 2-8°C
• RTECS编号: UU1785000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38-42/43
• 安全公开号: 22-26-36/37-45
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

详细说明

MP Biomedicals - 02198677

Sodium Salt

Sigma Aldrich - C8145

Biochem/physiol Actions
Cefsulodin is a cephalosporin. Cephalosporins disrupt cell wall synthesis by inhibiting PBP crosslinking of peptidoglycan.
Application
Cefsulodin is a third generation cephalosporin antibiotic that has very specific activity against Pseudomonas aeruginosa. Cefuslodin is used in CIN (cefsulodin-Irgasan-novobiocin) agar to select for microorganisms such as E. coli. Cefsulodin is a substrate for rat Oatp1a4. It has been used to study multidrug resistance-associated protein 4 in efflux transport of prostaglandin E2 across the mouse blood-brain barrier1. Cefsulodin is used to study the effect of expression, binding, and inhibition of PBP1 and other penicillin-binding proteins (PBPs) on bacterial cell wall mucopeptide synthesis.
Cefsulodin is used to study the effect of expression, binding, and inhibition of PBP1 and other penicillin-binding proteins (PBPs) on bacterial cell wall mucopeptide synthesis.
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information