SJB2-043
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 563362

CAS#: 63388-44-3

Description: SJB2-043 is an inhibitor of USP1 target ID1 degradation in leukemic cells.

Chemical Structure

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SJB2-043
CAS# 63388-44-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 563362
Name: SJB2-043
CAS#: 63388-44-3
Chemical Formula: C17H9NO3
Exact Mass: 275.06
Molecular Weight: 275.260
Elemental Analysis: C, 74.18; H, 3.30; N, 5.09; O, 17.44

Price and Availability

Size Price Availability Quantity
5mg USD 90 Ready to ship
10mg USD 150 Ready to ship
25mg USD 320 Ready to ship
50mg USD 550 Ready to ship
100mg USD 925 Ready to ship
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Synonym: SJB2-043; SJB2 043; SJB2043; SJB2043; SJB2043;

IUPAC/Chemical Name: 2-Phenyl-naphth[2,3-d]oxazole-4,9-dione

InChi Key: CMYQQADDUUDCCA-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H9NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9H

SMILES Code: O=C(C1=C2OC(C3=CC=CC=C3)=N1)C4=C(C=CC=C4)C2=O

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: 2934.99.03.00

More Info:

Biological target: SJB2-043 is a dual inhibitor of USP1 and the USP1-UAF1 complex (IC50 = 0.544 µM for deubiquitinase activity) and also targets the SARS-CoV-2 papain-like protease (PLpro). It demonstrates antiproliferative effects in K562 cells (EC50 = 1.07 µM), inducing concentration-dependent apoptosis. Additionally, SJB2-043 effectively inhibits SARS-CoV-2 PLpro, with IC50 values of 0.56 µM and 0.091 µM using the fluorogenic substrates Z-LRGG-AMC and ubiquitin-AMC (Ub-AMC), respectively.
In vitro activity: SJB2-043 inhibits the DUB activity of native USP1 complexes isolated from human cells. After treating cells with SJB2-043 for 24 hours, the formation of the Ub-USP1 conjugate was suppressed. SJB2-043 also showed specificity by inhibiting the labeling of a limited number of endogenous DUB enzymes. Furthermore, SJB2-043 demonstrated a dose-dependent inhibition of the labeling of USP1 with Ub-VS. In summary, these findings establish SJB2-043 as an inhibitor of the native USP1/UAF1 complex. Reference: Mol Cancer Ther. 2013 Dec;12(12):2651-62. https://pubmed.ncbi.nlm.nih.gov/24130053/
In vivo activity: To be determined

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 3.3 12.10

Preparing Stock Solutions

The following data is based on the product molecular weight 275.26 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: 1. Cho CC, Li SG, Lalonde TJ, Yang KS, Yu G, Qiao Y, Xu S, Ray Liu W. Drug Repurposing for the SARS-CoV-2 Papain-Like Protease. ChemMedChem. 2022 Jan 5;17(1):e202100455. doi: 10.1002/cmdc.202100455. Epub 2021 Oct 12. Erratum in: ChemMedChem. 2022 Mar 4;17(5):e202200053. PMID: 34423563; PMCID: PMC8653067. 2. Mistry H, Hsieh G, Buhrlage SJ, Huang M, Park E, Cuny GD, Galinsky I, Stone RM, Gray NS, D'Andrea AD, Parmar K. Small-molecule inhibitors of USP1 target ID1 degradation in leukemic cells. Mol Cancer Ther. 2013 Dec;12(12):2651-62. doi: 10.1158/1535-7163.MCT-13-0103-T. Epub 2013 Oct 15. PMID: 24130053; PMCID: PMC4089878.
In vitro protocol: 1. Cho CC, Li SG, Lalonde TJ, Yang KS, Yu G, Qiao Y, Xu S, Ray Liu W. Drug Repurposing for the SARS-CoV-2 Papain-Like Protease. ChemMedChem. 2022 Jan 5;17(1):e202100455. doi: 10.1002/cmdc.202100455. Epub 2021 Oct 12. Erratum in: ChemMedChem. 2022 Mar 4;17(5):e202200053. PMID: 34423563; PMCID: PMC8653067. 2. Mistry H, Hsieh G, Buhrlage SJ, Huang M, Park E, Cuny GD, Galinsky I, Stone RM, Gray NS, D'Andrea AD, Parmar K. Small-molecule inhibitors of USP1 target ID1 degradation in leukemic cells. Mol Cancer Ther. 2013 Dec;12(12):2651-62. doi: 10.1158/1535-7163.MCT-13-0103-T. Epub 2013 Oct 15. PMID: 24130053; PMCID: PMC4089878.
In vivo protocol: To be determined

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1: Goncalves JM, Cordeiro MMR, Rivero ERC. The Role of the Complex USP1/WDR48 in Differentiation and Proliferation Processes in Cancer Stem Cells. Curr Stem Cell Res Ther. 2017;12(5):416-422. doi: 10.2174/1574888X12666170315104013. Review. PubMed PMID: 28302046.