(Z)-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)methylboronic acid

ID: ALA227452

Chembl Id: CHEMBL227452

PubChem CID: 9600412

Max Phase: Preclinical

Molecular Formula: C7H11BN4O4S

Molecular Weight: 258.07

Molecule Type: Small molecule

Names and Identifiers

Synonyms: cefotaxime BATSI | CHEMBL227452|cefotaxime BATSI|[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID|LP08|BDBM50202234|DB07599|(Z)-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)methylboronic acid|({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid|[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]methylboronic acid

Canonical SMILES:  CO/N=C(\C(=O)NCB(O)O)c1csc(N)n1

Standard InChI:  InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5-

Standard InChI Key:  FMYGJTQJYFMFCR-XGICHPGQSA-N

Alternative Forms

1. Parent:

   

   ALA227452

   CEFOTAXIME BATSI

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 258.07

Molecular Weight (Monoisotopic): 258.0594

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References

1. Thomson JM, Prati F, Bethel CR, Bonomo RA..  (2007)  Use of novel boronic acid transition state inhibitors to probe substrate affinity in SHV-type extended-spectrum beta-lactamases.,  51  (4): [PMID:17220410] [10.1128/aac.01293-06]

Source

Source(1):

• Scientific Literature