CAS 400827-55-6

Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, acetate, hydrate (1:1:1)

Description:

Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, acetate, hydrate (1:1:1) is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carboxylic acids, thiazoles, and thiadiazoles. This compound features a pyridinium ring, which contributes to its basicity and potential for protonation. The presence of a phosphonoamino group suggests possible applications in biochemistry, particularly in enzyme inhibition or as a pharmaceutical agent. The acetate and hydrate forms indicate that the compound can exist in a solvated state, which may influence its solubility and reactivity. Its stereochemistry, denoted by the (6R,7R) configuration, is crucial for its biological activity, as stereoisomers can exhibit significantly different properties. Overall, this compound's unique structure and functional groups make it a subject of interest in medicinal chemistry and drug design.

Formula: C₂₂H₂₂N₈O₈PS₄·C₂H₃O₂·H₂O

InChI: InChI=1S/C22H21N8O8PS4.C2H4O2.H2O/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4;/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4);1H2/b26-13-;;/t14-,19-;;/m1../s1

InChI key: InChIKey=KRWPPVCZNGQQHZ-IINIBMQSSA-N

SMILES: C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OCC)/C=3N=C(NP(=O)(O)O)SN3)=O)C2=O)(SCC1SC4=NC(=CS4)C=5C=C[N+](C)=CC5)[H].C(C)([O-])=O.O

Synonyms:

• (6R,7R)-7-{(2Z)-2-(ethoxyimino)-2-[5-phosphonoamino)-1,2,4-thiadiazol-3-yl]acetamido}-3-{[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl}8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monoacetate monohydrate
• Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-(ethoxyimino)[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, acetate, monohydrate
• Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, acetate, hydrate (1:1:1)
• Ceftaroline fosamil acetic acid monohydrate

Ceftaroline fosamil (hydrate)(acetate)

CAS: 400827-55-6

Ceftaroline: a cephalosporin antibiotic effective against MRSA, drug-resistant S. pneumoniae, and Gram-negatives; used for cSSSIs and CABP research.

Formula: C₂₄H₂₇N₈O₁₁PS₄

Color and Shape: Solid

Molecular weight: 762.75

Ref: TM-T74591

Ceftaroline fosamil acetate hydrate - Bio-X ™

CAS: 400827-55-6

Ceftaroline fosamil is an antibacterial agent used to treat various bacterial infections such as pneumonia. Ceftaroline fosamil binds to the ribosomal RNA of bacteria, preventing the formation of proteins necessary for cell division. Ceftaroline fosamil has been shown to be highly active against Mycobacterium tuberculosis, Mycobacterium avium complex, and fungi such as Candida species.

Formula: C₂₂H₂₂N₈O₈PS₄·C₂H₃O₂·H₂O

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 762.76 g/mol

Ref: 3D-BC300047

Ceftaroline fosamil acetate hydrate

CAS: 400827-55-6

Ceftaroline fosamil acetate hydrate is a fifth-generation cephalosporin antibiotic with action against gram-positive bacteria, including MRSA and is used for treating bacterial skin infections and community-acquired pneumonia.

Formula: C₂₂H₂₂N₈O₈PS₄•C₂H₃O₂•H₂O

Purity: Min. 90 Area-%

Color and Shape: Powder

Molecular weight: 762.76 g/mol

Ref: 3D-FC172973

Ceftaroline Fosamil Acetate Monohydrate

CAS: 400827-55-6

Formula: C₂₂H₂₂N₈O₈PS₄H₂OC₂H₃O₂

Molecular weight: 685.68 : 18.02 : 59.04

Ref: ST-EA-CP-C138021