MedKoo Cat#: 407884 | Name: DI-404

Description:

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

DI-404 is a high-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction (Kd= 6.9 nM). DI-404 effectively and selectively inhibits the neddylation of cullin 3 over other cullin members. Further optimization of DI-404 may yield a new class of therapeutics for the treatment of human diseases in which cullin 3 CRL plays a key role.

Chemical Structure

DI-404
CAS#2187412-79-7

Theoretical Analysis

MedKoo Cat#: 407884

Name: DI-404

CAS#: 2187412-79-7

Chemical Formula: C35H45ClN6O6S

Exact Mass: 712.2810

Molecular Weight: 713.29

Elemental Analysis: C, 58.94; H, 6.36; Cl, 4.97; N, 11.78; O, 13.46; S, 4.49

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
2187412-79-7 2245889-06-7 2245887-16-3 2245887-19-6 2245887-20-9
Synonym
DI-404; DI 404; DI404.
IUPAC/Chemical Name
(S)-6-Amino-2-((S)-2-((S)-3-(6-chlorobenzo[d]thiazol-2-yl)-2-propionamidopropanamido)-2-(tetrahydro-2H-pyran-4-yl)-acetamido)-N-((R)-chroman-4-yl)hexanamide
InChi Key
YDLRNYPCUDZBDY-SARPRWNPSA-N
InChi Code
InChI=1S/C35H45ClN6O6S/c1-2-30(43)38-27(20-31-39-25-11-10-22(36)19-29(25)49-31)34(45)42-32(21-12-16-47-17-13-21)35(46)41-26(8-5-6-15-37)33(44)40-24-14-18-48-28-9-4-3-7-23(24)28/h3-4,7,9-11,19,21,24,26-27,32H,2,5-6,8,12-18,20,37H2,1H3,(H,38,43)(H,40,44)(H,41,46)(H,42,45)/t24-,26+,27+,32+/m1/s1
SMILES Code
O=C(N[C@@H]1CCOC2=C1C=CC=C2)[C@@H](NC([C@@H](NC([C@@H](NC(CC)=O)CC3=NC4=CC=C(Cl)C=C4S3)=O)C5CCOCC5)=O)CCCCN
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
>2 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
The Cullin-RING ligases (CRLs) regulate the turnover of approximately 20% of the proteins in mammalian cells and are emerging therapeutic targets in human diseases. The activation of CRLs requires the neddylation of their cullin subunit, which is controlled by an activation complex consisting of Cullin-RBX1-UBC12-NEDD8-DCN1.

Preparing Stock Solutions

The following data is based on the product molecular weight 713.29 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 HB, Zhou W, Zhou B, Liu L, Chern TR, Chinnaswamy K, Lu J, Bernard D, Yang C, Li S, Wang M, Stuckey JA, Sun Y, Wang S. High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction. J Med Chem. 2018 Feb 13. doi: 10.1021/acs.jmedchem.7b01455. [Epub ahead of print] PubMed PMID: 29438612.