Cgp 31523A
Basic information
- CAS
94714-78-0- Standard SMILES
Nc1nc(C(NC=O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4cnns4)CS[C@H]23)cs1- InChIKey
MLLOBKWZTXROPZ-WUMONGPASA-N- Molecular formula
- C16H15N7O5S4
- Average molar mass
- 513.6 g/mol
- Monoisotopic mass
- 513.0017513
Overview
structure given in first source
Names & identifiers
- Preferred name
- Cgp 31523A
- IUPAC
- (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-formamidoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2S)-(2-amino-4-thiazolyl)(formylamino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, (6R,7R)- (9CI)
- Molecular formula
- C16H15N7O5S4
- Molecular weight
- 513.59
Names & synonyms
Cgp 31523A94714-78-0Cgp-31523ARefChem:124781(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-formamidoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-B((2,5)-2-(2-Aminothiazol-4-yl)-2,4-formamido-acetamido)-3-((1,2,3-thiadiazol-5-yl-thiomethyl))-3-cephem-4-carboxylic acidDTXSID40915306(6R,7R)-3-(((1,2,3-thiadiazol-5-yl)thio)methyl)-7-(2-(2-aminothiazol-4-yl)-2-formamidoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R-(6alpha,7beta(S*)))-7-(((2-Amino-4-triazolyl)(formylamino)acetyl)amino)-8-oxo-3-((1,2,3-thiadiazol-5-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-({1-Hydroxy-2-[(hydroxymethylidene)amino]-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)ethylidene}amino)-8-oxo-3-{[(1,2,3-thiadiazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-triazolyl)(formylamino)acetyl)amino)-8-oxo-3-((1,2,3-thiadiazol-5-ylthio)methyl)-, (6R-(6alpha,7beta(S*)))-7-({1-Hydroxy-2-[(hydroxymethylidene)amino]-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)ethylidene}amino)-8-oxo-3-{[(1,2,3-thiadiazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Show more names
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2S)-(2-amino-4-thiazolyl)(formylamino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, (6R,7R)- (9CI)
94788-68-8
Database identifiers
- CAS
94714-78-0、94788-68-8- PubChem CID
- 3036451
- DTXSID
DTXSID40915306
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 288 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 833
Physicochemical properties
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- 2 · 2+-.0.50(Predicted)
Chemistry & industry
Applications
DescriptionCgp 31523A is a new aminothiazolyl cephalosporin. CGP 31523A inhibited E. coli, K. pneumoniae, P. mirabilis, C. diversus, K. oxytoca, P. stuartii, Salmonella and Shigella at less than or equal to 0.25 micrograms/ml. It was equal or 2-fold more active than cefotaxime and ceftazidime, and 4-fold more active than imipenem against these organisms.
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Compound notes
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