-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Endogenous Metabolite
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- Antiviral intermediates
Aplaviroc
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 461443-59-4 |
| Description | Aplaviroc is a potent non-competitive CCR5 receptor allosteric antagonist with IC50 of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW. |
Product Information
| Synonyms | AK 602 |
| IUPAC Name | 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid |
| Molecular Weight | 577.7 |
| Molecular Formula | C33H43N3O6 |
| Canonical SMILES | CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O |
| InChI | InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 |
| InChIKey | GWNOTCOIYUNTQP-FQLXRVMXSA-N |
| Boiling Point | 800.6±65.0 °C(Predicted) |
| Flash Point | 438.0±34.3 °C |
| Purity | 98% |
| Density | 1.29±0.1 g/cm3 |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Application | HIV Fusion Inhibitors |
| Storage | Store at -20°C |
| Complexity | 915 |
| Exact Mass | 577.315186 |
| Index Of Refraction | 1.630 |
| In Vitro | Aplaviroc exerts potent activity against three wild-type R5 HIV-1 strains (HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW) with IC50 values of 0.1 to 0.4 nM. Aplaviroc suppresses the infectivity and replication of two HIV-1MDR variants, HIV-1MM and HIV-1JSL, at extremely low concentrations (IC50 values of 0.4 to 0.6 nM). |
| In Vivo | The concentration of Aplaviroc (AK602) reached the maximal concentration immediately after intraperitoneal administration and decreased rapidly. Aplaviroc (AK602, 60 mg/kg, bid, daily) suppresses R5 HIV-1 viremia in hu-PBMC-NOG mice. |
| Target | HIV-1Ba-L : 0.4 nM (IC50) HIV-1JRFL: 0.1 nM (IC50) HIV-1MOKW: 0.2 nM (IC50) CCR5 |
| Vapor Pressure | 0.0±3.0 mmHg at 25°C |
| XLogP3-AA | 3.1 |
