DI-591

Name: DI-591
CAS#: 2245887-38-9
Chemical Formula: C31H47N5O4S
Exact Mass: 585.3349
Molecular Weight: 585.81
Elemental Analysis: C, 63.56; H, 8.09; N, 11.96; O, 10.92; S, 5.47

Description: DI-591 is a high-affinity, cell-permeable, small molecule inhibitor of the DCN1-UBC12 interaction. DI-591 selectively blocks cullin 3 neddylation.

IUPAC/Chemical Name: (S)-N-((S)-1-Cyclohexyl-2-(3-morpholinopropanamido)ethyl)-3-(6-isopropylbenzo[d]thiazol-2-yl)-2-propionamidopropanamide

InChi Key: CNJKDQGPBAWNRY-IZZNHLLZSA-N

InChi Code: InChI=1S/C31H47N5O4S/c1-4-28(37)33-25(19-30-34-24-11-10-23(21(2)3)18-27(24)41-30)31(39)35-26(22-8-6-5-7-9-22)20-32-29(38)12-13-36-14-16-40-17-15-36/h10-11,18,21-22,25-26H,4-9,12-17,19-20H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)/t25-,26+/m0/s1

SMILES Code: O=C(N[C@@H](C1CCCCC1)CNC(CCN2CCOCC2)=O)[C@@H](NC(CC)=O)CC3=NC4=CC=C(C(C)C)C=C4S3

Appearance: Solid powder