WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556217
CAS#: 2477651-10-6
Description: DUN51106, also known as USP8-IN-3, is a deubiquitinase USP8 inhibitor (IC50 = 4.0 μM) for treatment of malignant tumors. This compound was first reported in patent CN111138358. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 556217
Name: DUN51106
CAS#: 2477651-10-6
Chemical Formula: C18H18F3N5O2S
Exact Mass: 425.1133
Molecular Weight: 425.4302
Elemental Analysis: C, 50.82; H, 4.26; F, 13.40; N, 16.46; O, 7.52; S, 7.54
Synonym: USP8-IN-3; DUN51106; DUN-51106; DUN 51106;
IUPAC/Chemical Name: 1-(4-nitrophenyl)-3-(1-(6-(trifluoromethyl)pyridin-2-yl)piperidin-4-yl)thiourea
InChi Key: DYHHEFBWFATDAN-UHFFFAOYSA-N
InChi Code: InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-2-1-3-16(24-15)25-10-8-13(9-11-25)23-17(29)22-12-4-6-14(7-5-12)26(27)28/h1-7,13H,8-11H2,(H2,22,23,29)
SMILES Code: [O-][N+](C1=CC=C(NC(NC2CCN(CC2)C3=CC=CC(C(F)(F)F)=N3)=S)C=C1)=O
Appearance: To be determined
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
The following data is based on the product molecular weight 425.4302 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 |
