For research use only. Not for therapeutic Use.
SCHEMBL18616095 is a novel inhibitor of SARS-CoV-2 main protease (MPro).
| Catalog Number | I036122 |
| Synonyms | SCHEMBL18616095; SCHEMBL 18616095; SCHEMBL-18616095; |
| Molecular Formula | C12H15N3O3 |
| Purity | 98% |
| Solubility | To be determined |
| Appearance | Solid powder |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | N3-methyl-N5-((1R,2R)-2-methylcyclopropyl)-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide |
| InChI | InChI=1S/C12H15N3O3/c1-6-3-9(6)15-10(16)7-4-8(11(17)13-2)12(18)14-5-7/h4-6,9H,3H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)/t6-,9-/m1/s1 |
| InChIKey | QCNUMPTZOGRMJJ-HZGVNTEJSA-N |
| SMILES | O=C(C1=CC(C(N[C@H]2[C@H](C)C2)=O)=CNC1=O)NC |
| Reference | 1: Ahmad S, Waheed Y, Ismail S, Najmi MH, Ansari JK. Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach. J Mol Liq. 2021 May 15;330:115636. doi: 10.1016/j.molliq.2021.115636. Epub 2021 Feb 12. PMID: 33612899; PMCID: PMC7879066. |
