| Synonyms |
Propanamide, N-cyclohexyl-2,2-dimethyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexyl]-; N-Cyclohexyl-2,2-dimethyl-N-{6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexyl}propanamide |
| IUPAC Name |
N-cyclohexyl-2,2-dimethyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide |
| Molecular Weight |
428.61 |
| Molecular Formula |
C23H44N2O5 |
| Canonical SMILES |
CC(C)(C)C(=O)N(CCCCCCN1CC(C(C(C1CO)O)O)O)C2CCCCC2 |
| InChI |
InChI=1S/C23H44N2O5/c1-23(2,3)22(30)25(17-11-7-6-8-12-17)14-10-5-4-9-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,4-16H2,1-3H3/t18-,19+,20-,21-/m1/s1 |
| InChIKey |
DWMQGQSPNDGKJC-PLACYPQZSA-N |
| Boiling Point |
617.2±55.0°C at 760 mmHg |
| Purity |
≥98% (HPLC) |
| Density |
1.2±0.1 g/cm3 |
| Solubility |
In vitro:
10 mM in DMSO |
| Appearance |
Solid powder |
| Storage |
Store at -20°C |
| Complexity |
518 |
| Exact Mass |
428.32502251 |
| In Vitro |
In virus yield reduction assays, IHVR-17028 inhibits viral activities with EC50 values of 0.4 μM, 0.26 μM, 0.3 μM for bovine viral diarrhea virus (BVDV) (NADL strain), tacaribe virus (TCRV) (11573 strain), DENV (serotype 2, New Guinea C), respectively. And in MTT assays, IHVR-17028 exhibits IC50 values of all >500 μM in MDBK, Huh7.5 or BHK cells. |
| In Vivo |
In Pharmacokinetic analysis in rats, IHVR17028 (oral gavage; 75 mg/kg) shows a Cmax value of 0.18 μg/ml; the Tmax value is 1.56 hours; and the F% value is 12% after PO administration, the T1/2 value is 0.88 hour after iv. adminstration. |
| Target |
Influenza Virus; Glucosidase |
| XLogP3-AA |
2.3 |
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