(S)-2-Amino-4-((1R,5S)-5,9,9-trimethyl-2,4-dioxa-3-bora-tricyclo[6.1.1.0*1,5*]dec-3-yl)-butyric acid methyl ester

ID: ALA85646

Chembl Id: CHEMBL85646

PubChem CID: 44320019

Max Phase: Preclinical

Molecular Formula: C15H26BNO4

Molecular Weight: 295.19

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COC(=O)[C@@H](N)CCB1O[C@@]2(C)CCC3C[C@@]2(O1)C3(C)C

Standard InChI:  InChI=1S/C15H26BNO4/c1-13(2)10-5-7-14(3)15(13,9-10)21-16(20-14)8-6-11(17)12(18)19-4/h10-11H,5-9,17H2,1-4H3/t10?,11-,14-,15+/m0/s1

Standard InChI Key:  IQWAFKODDRXDEP-FCXHOERTSA-N

Alternative Forms

1. Parent:

   

   ALA85646

   methyl (2S)-2-amino-4-[(1R,5S)-5,9,9-trimethyl-2,4-dioxa-3-boratricyclo[6.1.1.01,5]decan-3-yl]butanoate

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: 295.19

Molecular Weight (Monoisotopic): 295.1955

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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