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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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C608458-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,334.90
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C608458-25mg
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25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$2,001.90
|
|
| Synonyms | SCHEMBL27072 | CEFPODOXIME PROXETIL IMPURITY A [EP IMPURITY] | HY-A0251 | DTXSID6022765 | 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(methoxymethyl)-8-oxo-, (6R-(6alpha,7beta(Z)))- | RU-51 |
|---|---|
| Specifications & Purity | Moligand™ |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Bacterial penicillin-binding protein inhibitor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems |
| Direct Parent | Cephalosporins |
| Alternative Parents | N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Dialkyl ethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Azacycle - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. |
| External Descriptors | cephalosporin - carboxylic acid |
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| ALogP | -1.4 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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| INCHI | InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1 |
| InChIKey | WYUSVOMTXWRGEK-HBWVYFAYSA-N |
| Smiles | COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O |
| Isomeric SMILES | COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O |
| PubChem CID | 6335986 |
| Molecular Weight | 427.46 |
| Molecular Weight | 427.500 g/mol |
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| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 427.062 Da |
| Monoisotopic Mass | 427.062 Da |
| Topological Polar Surface Area | 210.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 744.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |