| Synonyms |
Artemisone; BAY 44-9585; 4-[(3R,12aR)-3,6alpha,9beta-Trimethyl-3beta,12alpha-epoxy-3,4,5,5aalpha,6,7,8,8aalpha,9,10-decahydropyrano[4,3-j]-1,2-benzodioxepin-10alpha-yl]thiomorpholine 1,1-dioxide |
| IUPAC Name |
4-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]-1,4-thiazinane 1,1-dioxide |
| Molecular Weight |
401.52 |
| Molecular Formula |
C19H31NO6S |
| Canonical SMILES |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)N5CCS(=O)(=O)CC5)C |
| InChI |
InChI=1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1 |
| InChIKey |
FDMUNKXWYMSZIR-NQWKWHCYSA-N |
| Boiling Point |
536.5±50.0°C (Predicted) |
| Purity |
≥98% |
| Density |
1.33±0.1 g/cm3 (Predicted) |
| Solubility |
Soluble in DMSO |
| Appearance |
Powder |
| Storage |
Store at -20°C |
| Complexity |
696 |
| Exact Mass |
401.18700 |
| In Vitro |
Artemisone inhibits 3D7 and K1 P. falciparum, with IC50s of 0.88±0.59 and 1.23±0.64 nM, respectively |
| In Vivo |
Artemisone is effectve at inhibiting the parasitaemia in the P. berghei NY susceptible strain, with an ED50 of 9.62 mg/kg via subcutaneous route and 11.67 mg/kg via oral administration.
Artemisone in combination with ohter antimalarials has enhanced effect against the chloroquine-resistant line P. yoelii NS. |
| PSA |
82.68000 |
| Target |
Parasite; CMV |
| XLogP3-AA |
2.4 |
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