| Synonyms |
5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid 9-octanoate; (2R,3R,4S)-3-Acetamido-4-guanidino-2-[(1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid; (4S,5R,6R)-5-Acetamido-4-guanidino-6-[(1R,2R)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl]-5,6-dihydro-4H-pyran-2-carboxylic acid; CS 8958 |
| IUPAC Name |
(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid |
| Molecular Weight |
472.53 |
| Molecular Formula |
C21H36N4O8 |
| Canonical SMILES |
CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O |
| InChI |
InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1 |
| InChIKey |
UKTIJASCFRNWCB-RMIBSVFLSA-N |
| Purity |
≥98% (HPLC) |
| Density |
1.4±0.1 g/cm3 |
| Solubility |
DMSO: 95 mg/mL (201.04 mM); Ethanol: 5 mg/mL (10.58 mM); Water: Insoluble |
| Appearance |
Solid powder |
| Storage |
Powder: 3 years -20°C; In solvent: 2 years -80°C |
| Complexity |
723 |
| Exact Mass |
472.25331412 |
| Index Of Refraction |
1.572 |
| In Vitro |
Laninamivir octanoate (CS-8958) shows inhibitory activity with an IC50 of 631-1170 nM, 39.2-221 nM and 128 nM to the H1N1 viruses strains, H3N2 viruses strains and H2N2 (A/Singapore/1/57) virus, respectively. |
| In Vivo |
Laninamivir octanoate (CS-8958; 95 μg/kg; intranasal administration; three dose; at 4 h before and 4 h and 17 h postinfection) treatment shows significantly life-prolonging effect in infected model. |
| Target |
Influenza Virus |
| XLogP3-AA |
0.4 |
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