(2-phenylacetamido)methylboronic acid

ID: ALA1275918

Chembl Id: CHEMBL1275918

PubChem CID: 9920615

Max Phase: Preclinical

Molecular Formula: C9H12BNO3

Molecular Weight: 193.01

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(Cc1ccccc1)NCB(O)O

Standard InChI:  InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)

Standard InChI Key:  WPZJZIUTEZTIJI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA1275918

   Phenylacetamidomethyl Boronic Acid

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: 193.01

Molecular Weight (Monoisotopic): 193.0910

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References

1. Eidam O, Romagnoli C, Caselli E, Babaoglu K, Pohlhaus DT, Karpiak J, Bonnet R, Shoichet BK, Prati F..  (2010)  Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids as β-lactamase inhibitors.,  53  (21): [PMID:20945905] [10.1021/jm101015z]

2. Zervosen A, Bouillez A, Herman A, Amoroso A, Joris B, Sauvage E, Charlier P, Luxen A..  (2012)  Synthesis and evaluation of boronic acids as inhibitors of Penicillin Binding Proteins of classes A, B and C.,  20  (12): [PMID:22579615] [10.1016/j.bmc.2012.04.018]

Source

Source(1):

• Scientific Literature