L-739594

Modify Date: 2025-08-26 11:05:50

L-739594 Structure
L-739594 structure
Common Name L-739594
CAS Number 156879-13-9 Molecular Weight 557.72100
Density 1.21g/cm3 Boiling Point 761.7ºC at 760mmHg
Molecular Formula C31H47N3O6 Melting Point N/A
MSDS N/A Flash Point 414.5ºC

 Use of L-739594


L-739594 is a HIV-1 protease inhibitor, with an IC50 of 1.8 nM[1].

 Names

Name [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

 L-739594 Biological Activity

Description L-739594 is a HIV-1 protease inhibitor, with an IC50 of 1.8 nM[1].
Related Catalog
Target

IC50: 1.8 nM (HIV-1)[1].

References

[1]. Arun K Ghosh, et al. SYNTHESIS AND OPTICAL RESOLUTION OF HIGH AFFINITY P2-LIGANDS FOR HIV-1 PROTEASE INHIBITORS. Tetrahedron Lett. 1995 Jan 23;36(4):505-508.  

 Chemical & Physical Properties

Density 1.21g/cm3
Boiling Point 761.7ºC at 760mmHg
Molecular Formula C31H47N3O6
Molecular Weight 557.72100
Flash Point 414.5ºC
Exact Mass 557.34600
PSA 116.34000
LogP 4.22420
Vapour Pressure 2.16E-24mmHg at 25°C
Index of Refraction 1.58
InChIKey LQBLSQUSWJJCSP-UZIBIQIJSA-N
SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12
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