CAS 68728-50-7

2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2)

Description:

2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2) is a complex organic compound characterized by its thiazolidine and isoxazole moieties. This compound features a thiazolidine ring, which contributes to its potential biological activity, particularly in medicinal chemistry. The presence of a sodium salt form indicates enhanced solubility in aqueous environments, making it suitable for various pharmaceutical applications. The compound's structure includes multiple functional groups, such as carboxylic acids and amides, which may influence its reactivity and interaction with biological targets. Its specific substitution patterns, including the chloro and fluorine atoms on the phenyl ring, suggest potential for selective activity against certain biological pathways. Overall, this compound may exhibit properties relevant to drug development, particularly in the context of anti-inflammatory or anti-cancer therapies, although detailed biological activity would require further investigation.

Formula: C₁₉H₁₉ClFN₃O₆S·2Na

InChI: InChI=1S/C19H19ClFN3O6S.2Na/c1-7-10(12(24-30-7)11-8(20)5-4-6-9(11)21)15(25)22-13(17(26)27)16-23-14(18(28)29)19(2,3)31-16;;/h4-6,13-14,16,23H,1-3H3,(H,22,25)(H,26,27)(H,28,29);;

InChI key: InChIKey=VIOFASGQSMKQAU-UHFFFAOYSA-N

SMILES: C(NC(C(O)=O)C1NC(C(O)=O)C(C)(C)S1)(=O)C=2C(=NOC2C)C3=C(Cl)C=CC=C3F.[Na]

Synonyms:

• 2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2)
• 2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, disodium salt

(4S)-2-[Carboxy[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]methyl]-5,5-dimethylthiazolidine-4-carboxylic Acid Disodium Salt (Penicilloic Acids of Flucloxacillin Disodium Salt)

Controlled Product

CAS: 68728-50-7

Formula: C₁₉H₁₇ClFN₃O₆SNa

Color and Shape: Light Yellow Solid

Molecular weight: 515.85

Ref: 86-MM0489.01

(4S)-2-[Carboxy[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]methyl]-5,5-dimethylthiazolidine-4-carboxylic aci d disodium salt (penicilloic acids of flucloxacillin disodium salt)

CAS: 68728-50-7

(4S)-2-[Carboxy[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]methyl]-5,5-dimethylthiazolidine-4-carboxylic acid disodium salt, known as the penicilloic acids of flucloxacillin disodium salt, is a β-lactam antibiotic. This compound is derived from the penicillin family and exhibits potent antibacterial properties. The mode of action involves the inhibition of bacterial cell wall synthesis, primarily targeting the transpeptidase enzyme, which plays a crucial role in cross-linking the peptidoglycan layers of the bacterial cell wall. By acylating this enzyme, the penicilloic acids disrupt the integrity of the cell wall, leading to cell lysis and death of the bacteria.

Formula: C₁₉H₁₇ClFN₃Na₂O₆S

Purity: Min. 95%

Molecular weight: 515.9 g/mol

Ref: 3D-TCA72850