| Synonyms |
2-C-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-D-altrononitrile; Remdesivir metabolite GS-441524; GS 441524; GS441524; (2R,3R,4S,5R)-2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile |
| IUPAC Name |
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile |
| Molecular Weight |
291.26 |
| Molecular Formula |
C12H13N5O4 |
| Canonical SMILES |
C1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N |
| InChI |
InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1 |
| InChIKey |
BRDWIEOJOWJCLU-LTGWCKQJSA-N |
| Melting Point |
>233 °C (dec.) |
| Purity |
97% |
| Density |
1.84±0.1 g/cm3 |
| Solubility |
Soluble in DMSO, Water |
| Appearance |
White to Off-white Solid |
| Storage |
Store at -20 °C |
| Complexity |
456 |
| Exact Mass |
291.09675391 |
| In Vitro |
The cells appear and grow normally at all concentrations of GS-441524 and fail to uptake the fluorescent dye CellTox Green at 24 h. The cytotoxic concentration-50% (CC50) is therefore>100 μM. The effective concentration-50% (EC50) of GS-441524 is calculated to be 0.78 μM. |
| In Vivo |
All 10 treated cats have a rapid response to treatment and lymphocyte levels and rectal temperatures return to pre-infection levels and levels of the two asymptomatic cats. All ten of the once or twice treated cats have remained normal to date (more than eight months post infection). Injections cause a transient "stinging" reaction in some cats within 10 s of compound administration. Localized and transient pain is evidenced by unusual posturing, licking at the injection site and/or vocalizations that last for approximately 30-60 s after injection. Injection reactions are more pronounced in some animals relative to others and reactions are inconsistent from one injection to the next and decreas over time. |
| Target |
DNA/RNA Synthesis; SARS-CoV |
| XLogP3-AA |
-1.4 |
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