((R)-3-Methyl-1-((S)-2-(pyrazine-2-carboxamido)-3-(4-(trifluoromethyl)phenyl)propanamido)butyl)boronic acid

ID: ALA3792495

Chembl Id: CHEMBL3792495

PubChem CID: 127027565

Max Phase: Preclinical

Molecular Formula: C20H24BF3N4O4

Molecular Weight: 452.24

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cnccn1)B(O)O

Standard InChI:  InChI=1S/C20H24BF3N4O4/c1-12(2)9-17(21(31)32)28-18(29)15(27-19(30)16-11-25-7-8-26-16)10-13-3-5-14(6-4-13)20(22,23)24/h3-8,11-12,15,17,31-32H,9-10H2,1-2H3,(H,27,30)(H,28,29)/t15-,17-/m0/s1

Standard InChI Key:  YYSGKFYTJHUWRP-RDJZCZTQSA-N

Alternative Forms

1. Parent:

   

   ALA3792495

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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: 452.24

Molecular Weight (Monoisotopic): 452.1843

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References

1. Lei M, Feng H, Wang C, Li H, Shi J, Wang J, Liu Z, Chen S, Hu S, Zhu Y..  (2016)  3D-QSAR-aided design, synthesis, in vitro and in vivo evaluation of dipeptidyl boronic acid proteasome inhibitors and mechanism studies.,  24  (11): [PMID:27117691] [10.1016/j.bmc.2016.04.025]

Source

Source(1):

• Scientific Literature