(2,6-Dimethoxybenzamido)methylboronic acid

ID: ALA2035284

Chembl Id: CHEMBL2035284

Cas Number: 114627-27-9

PubChem CID: 54330214

Max Phase: Preclinical

Molecular Formula: C10H14BNO5

Molecular Weight: 239.04

Molecule Type: Small molecule

Names and Identifiers

Synonyms: (2,6-Dimethoxybenzamido)Methylboronic Acid | 114627-27-9|((2,6-Dimethoxybenzamido)methyl)boronic acid|CHEMBL2035284|2,6 Dimethoxybenzamidoboronic Acid|[(2,6-Dimethoxybenzamido)methyl]boronic acid|(2,6-Dimethoxybenzamido)Methylboronic Acid|starbld0019222|DTXSID50710622|BDBM50385267|PD194596|{[(2,6-dimethoxybenzoyl)amino]methyl}boronic acid|{[(2,6-dimethoxyphenyl)formamido]methyl}boronic acid|Q27458156

Canonical SMILES:  COc1cccc(OC)c1C(=O)NCB(O)O

Standard InChI:  InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)

Standard InChI Key:  SXURQNHWSSEFLG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2035284

   ((2,6-Dimethoxybenzamido)methyl)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: 239.04

Molecular Weight (Monoisotopic): 239.0965

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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