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MedKoo Cat#: 563789 | Name: DI-591
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Chemical Structure

DI-591
CAS#2245887-38-9

Theoretical Analysis

MedKoo Cat#: 563789

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

Price and Availability

Size Price Availability Quantity
5mg USD 650.00 2 Weeks
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Related CAS #
No Data
Synonym
DI-591; DI591; DI 591; propionamidopropanamide
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
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
DI-591 is an excellent probe compound to investigate the role of the cullin 3 CRL ligase in biological processes and human diseases.
Certificate of Analysis
View CoA: current batch, Lot# A21O06B16
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 585.81 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Zhou H, Lu J, Liu L, Bernard D, Yang CY, Fernandez-Salas E, Chinnaswamy K, Layton S, Stuckey J, Yu Q, Zhou W, Pan Z, Sun Y, Wang S. A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation. Nat Commun. 2017 Oct 27;8(1):1150. doi: 10.1038/s41467-017-01243-7. PubMed PMID: 29074978; PubMed Central PMCID: PMC5658359.