Synonym
HMPSNE; HMP SNE; HMP-SNE; I3MT-3; I3MT3; I3MT 3;
IUPAC/Chemical Name
2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)-1-(naphthalen-1-yl)ethan-1-one
InChi Key
KKPLVAUVHOSUPR-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21)
SMILES Code
O=C(C1=C2C=CC=CC2=CC=C1)CSC3=NC(C)=CC(O)=N3
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
310.37
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 |
1: Bantzi M, Augsburger F, Loup J, Berset Y, Vasilakaki S, Myrianthopoulos V, Mikros E, Szabo C, Bochet CG. Novel Aryl-Substituted Pyrimidones as Inhibitors of 3-Mercaptopyruvate Sulfurtransferase with Antiproliferative Efficacy in Colon Cancer. J Med Chem. 2021 Apr 15. doi: 10.1021/acs.jmedchem.1c00260. Epub ahead of print. PMID: 33856792.
2: Ascenção K, Dilek N, Augsburger F, Panagaki T, Zuhra K, Szabo C. Pharmacological induction of mesenchymal-epithelial transition via inhibition of H2S biosynthesis and consequent suppression of ACLY activity in colon cancer cells. Pharmacol Res. 2021 Mar;165:105393. doi: 10.1016/j.phrs.2020.105393. Epub 2021 Jan 20. PMID: 33484818.
3: Augsburger F, Randi EB, Jendly M, Ascencao K, Dilek N, Szabo C. Role of 3-Mercaptopyruvate Sulfurtransferase in the Regulation of Proliferation, Migration, and Bioenergetics in Murine Colon Cancer Cells. Biomolecules. 2020 Mar 13;10(3):447. doi: 10.3390/biom10030447. PMID: 32183148; PMCID: PMC7175125.
