Benzamidomethylboronic acid

ID: ALA2035296

Chembl Id: CHEMBL2035296

Cas Number: 64577-65-7

PubChem CID: 127677

Max Phase: Preclinical

Molecular Formula: C8H10BNO3

Molecular Weight: 178.98

Molecule Type: Small molecule

Names and Identifiers

Synonyms: Benzamidomethylboronic Acid | benzamidomethylboronic acid|64577-65-7|(Benzamidomethyl)boronic acid|C8H10BNO3|Benzamidomethaneboronic acid|[(phenylformamido)methyl]boronic acid|starbld0016560|SCHEMBL9622803|CHEMBL2035296|DTXSID30983195|AKOS006291358|N-(Boronomethyl)benzenecarboximidic acid|Boronic acid, ((benzoylamino)methyl)-, (R)-

Canonical SMILES:  O=C(NCB(O)O)c1ccccc1

Standard InChI:  InChI=1S/C8H10BNO3/c11-8(10-6-9(12)13)7-4-2-1-3-5-7/h1-5,12-13H,6H2,(H,10,11)

Standard InChI Key:  WMIKIKOIDGVEQQ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2035296

   BENZAMIDOMETHYLBORONIC 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: 178.98

Molecular Weight (Monoisotopic): 179.0754

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References

1. 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