Glutamyl-gamma-boronate analogue

ID: ALA85937

Chembl Id: CHEMBL85937

Cas Number: 390402-06-9

PubChem CID: 10329572

Max Phase: Preclinical

Molecular Formula: C5H12BNO4

Molecular Weight: 160.97

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COC(=O)[C@@H](N)CCB(O)O

Standard InChI:  InChI=1S/C5H12BNO4/c1-11-5(8)4(7)2-3-6(9)10/h4,9-10H,2-3,7H2,1H3/t4-/m0/s1

Standard InChI Key:  LHKXGHNWQIKZII-BYPYZUCNSA-N

Alternative Forms

1. Parent:

   

   ALA85937

   (S)-(3-Amino-4-methoxy-4-oxobutyl)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: 160.97

Molecular Weight (Monoisotopic): 161.0859

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References

1. Decicco CP, Nelson DJ, Luo Y, Shen L, Horiuchi KY, Amsler KM, Foster LA, Spitz SM, Merrill JJ, Sizemore CF, Rogers KC, Copeland RA, Harpel MR..  (2001)  Glutamyl-gamma-boronate inhibitors of bacterial Glu-tRNA(Gln) amidotransferase.,  11  (18): [PMID:11549469] [10.1016/s0960-894x(01)00499-1]

Source

Source(1):

• Scientific Literature