((R)-1-((S)-3-(3,5-Bis(trifluoromethyl)phenyl)-2-(2,5-dichlorobenzamido)propanamido)-3-methylbutyl)boronic acid

ID: ALA3793540

Chembl Id: CHEMBL3793540

PubChem CID: 127029685

Max Phase: Preclinical

Molecular Formula: C23H23BCl2F6N2O4

Molecular Weight: 587.15

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O

Standard InChI:  InChI=1S/C23H23BCl2F6N2O4/c1-11(2)5-19(24(37)38)34-21(36)18(33-20(35)16-10-15(25)3-4-17(16)26)8-12-6-13(22(27,28)29)9-14(7-12)23(30,31)32/h3-4,6-7,9-11,18-19,37-38H,5,8H2,1-2H3,(H,33,35)(H,34,36)/t18-,19-/m0/s1

Standard InChI Key:  PYTIMWQORGXTCO-OALUTQOASA-N

Alternative Forms

1. Parent:

   

   ALA3793540

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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: 587.15

Molecular Weight (Monoisotopic): 586.1032

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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