WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H555446
CAS#: 2247544-02-9 (HCl)
Description: WS-383 is a Highly Potent, Selective, and Cellular Active Triazolo[1,5-a]Pyrimidine-Based Inhibitors Targeting the DCN1-UBC12 Protein-Protein Interaction. WS-383 blocks the DCN1−UBC12 interaction (IC50 = 11 nM) reversibly and shows selectivity over selected kinases. WS-383 exhibits cellular target engagement to DCN1 in MGC-803 cells. WS-383 inhibits Cul3/1 neddylation selectively over other cullins and also induces accumulation of p21, p27, and NRF2. ( J Med Chem. 2019 Feb 25. doi: 10.1021)
Hodoodo Cat#: H555446
Name: WS-383
CAS#: 2247544-02-9 (HCl)
Chemical Formula: C18H21Cl2N9S2
Exact Mass: 0.00
Molecular Weight: 498.449
Elemental Analysis: C, 43.37; H, 4.25; Cl, 14.22; N, 25.29; S, 12.86
Related CAS #: 2247543-65-1 (free base) 2247544-02-9 (HCl)
Synonym: WS-383; WS 383; WS383;
IUPAC/Chemical Name: 2-(5-((2-((4-chlorobenzyl)thio)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio)-1H-tetrazol-1-yl)-N,N-dimethylethan-1-amine hydrochloride
InChi Key: LJZUAAKUJAXXHQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C18H20ClN9S2.ClH/c1-12-10-15(30-18-22-24-25-27(18)9-8-26(2)3)28-16(20-12)21-17(23-28)29-11-13-4-6-14(19)7-5-13;/h4-7,10H,8-9,11H2,1-3H3;1H
SMILES Code: CN(C)CCN1N=NN=C1SC2=CC(C)=NC3=NC(SCC4=CC=C(Cl)C=C4)=NN23.Cl
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: The cullin-RING ubiquitin ligases (CRLs) are responsible for about 20% of cellular protein degradation and regulate diverse cellular processes, and the dysfunction of CRLs is implicated in human diseases. Targeting the CRLs has become an emerging strategy for the treatment of human diseases.
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 49.8 | 100.00 |
The following data is based on the product molecular weight 498.45 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.
| 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: |
1: Wang S, Zhao L, Shi X, Ding L, Yang L, Wang ZZ, Shen D, Tang K, Li XJ, Mamun M, Li H, Yu B, Zheng YC, Wang S, Liu HM. The Development of Highly Potent, Selective, and Cellular Active Triazolo[1,5-a]Pyrimidine-Based Inhibitors Targeting the DCN1-UBC12 Protein-Protein Interaction. J Med Chem. 2019 Feb 25. doi: 10.1021/acs.jmedchem.9b00113. [Epub ahead of print] PubMed PMID: 30803229.
