DI-591
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MedKoo CAT#: 563789

CAS#: 2245887-38-9

Description: 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

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DI-591
CAS# 2245887-38-9
Instruction

Theoretical Analysis

MedKoo Cat#: 563789
Name: DI-591
CAS#: 2245887-38-9
Chemical Formula: C31H47N5O4S
Exact Mass: 585.33
Molecular Weight: 585.810
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 450 2 weeks
10mg USD 750 2 weeks
50mg USD 1850 2 weeks
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Synonym: DI-591; DI591; DI 591

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.

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.