| Synonyms |
L 689502; L-689502; L689502; L-689,502; L 689,502; L689,502; tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate; L 689502; L-689,502 |
| IUPAC Name |
tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate |
| Molecular Weight |
673.84 |
| Molecular Formula |
C39H51N3O7 |
| Canonical SMILES |
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CC(CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)NC4C(CC5=CC=CC=C45)O)O |
| InChI |
1S/C39H51N3O7/c1-39(2,3)49-38(46)40-33(24-27-9-5-4-6-10-27)34(43)26-30(37(45)41-36-32-12-8-7-11-29(32)25-35(36)44)23-28-13-15-31(16-14-28)48-22-19-42-17-20-47-21-18-42/h4-16,30,33-36,43-44H,17-26H2,1-3H3,(H,40,46)(H,41,45)/t30-,33+,34+,35-,36+/m1/s1 |
| InChIKey |
IYLCQJSWFWQHCD-AIIVFDHXSA-N |
| Boiling Point |
886.9±65.0 ℃ at 760 Torr |
| Flash Point |
490.2ºC |
| Purity |
≥98% (HPLC) |
| Density |
1.24±0.1 g/cm3 |
| Solubility |
In Vitro:
10 mM in DMSO |
| Appearance |
Solid powder |
| Storage |
Store in a cool and dry place (or refer to the Certificate of Analysis). |
| Assay |
G689502 (3.3 pmoles in 1 mL of 100% DMSO) is added to cultures that have been growing for 48 hr. The final substrate and DMSO concentrations during the fermentation period are 65 pM and 2%, respectively. The fermentations containing L-689502 are carried out for an additional 72-96 hr prior to be harvested.The whole broth is sequenthdly extracted with methanol (0.5 vol) and acetone (0.5 vol). The supematant containing the derivatives of L-689502 is separated from the mycelia by filtration. |
| Complexity |
1000 |
| Exact Mass |
673.37270097 |
| Index Of Refraction |
1.615 |
| In Vitro |
Both L694746 and L-689502 inhibit HIV-l ptotease activity in a concentration-dependent manner. Pepstatin is much less potent than either compound exhibiting an IC50 of 2 μM. L694746 is as potent as L-689502 in inhibiting the HIV-l protease despite being structurally different from L-689502. |
| PSA |
136.57000 |
| Target |
IC50: 1 nM (HIV-l protease) |
| Vapor Pressure |
9.83E-34mmHg at 25°C |
| XLogP3-AA |
4.5 |
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