DC Chemicals Limited
China
Product Name: Aplaviroc
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Purity: 98.0%
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Contact: Tony Cao

461443-59-4

461443-59-4 structure

461443-59-4 structure

Name: Aplaviroc
Chemical Name: Aplaviroc
CAS Number: 461443-59-4
Molecular Formula: C₃₃H₄₃N₃O₆
Molecular Weight: 577.711
Catalog: Signaling Pathways Anti-infection HIV
Create Date: 2018-03-26 01:09:22
Modify Date: 2024-01-02 20:12:40
Aplaviroc, a SDP derivative, is a CCR5 antagonist, with IC50s of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW.

Name	Aplaviroc
Synonyms	Aplaviroc GSK873140 GW873140 4-[4-({(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid AK602 Benzoic acid, 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-

Description	Aplaviroc, a SDP derivative, is a CCR5 antagonist, with IC50s of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW.
Related Catalog	Signaling Pathways >> GPCR/G Protein >> CCR Signaling Pathways >> Immunology/Inflammation >> CCR Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection
Target	HIV-1Ba-L:0.4 nM (IC50) HIV-1JRFL:0.1 nM (IC50) HIV-1MOKW:0.2 nM (IC50) CCR5
In Vitro	Aplaviroc (AK602) is identified as the most potent agent among newly designed and synthesized SDP derivatives. 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. It is of note that Aplaviroc is substantially more potent than two previously published CCR5 inhibitors, E921/TAK-779 and AK671/SCH-C. The activity of Aplaviroc’s anti-HIV-1 is limited and similar to that seen for zidovudine. Moreover, 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), while these two R5 HIV-1 variants are less susceptible to zidovudine, nelfinavir, and saquinavir. Aplaviroc binds to CCR5 with high affinity. The Kd values thus determined for Aplaviroc, E913, E921/TAK-779, and AK671/SCH-C are 2.9±1.0, 111.7±3.5, 32.2±9.6, and 16.0±1.5 nM, respectively. Aplaviroc potently blocks rgp120/sCD4 binding to CCR5 with an IC50 value of 2.7 nM. These results suggest that the potent activity of Aplaviroc against R5 HIV-1 stems from its binding to ECL2B and/or its vicinity with high affinity, resulting in inhibition of gp120/CD4 binding to CCR5[1].
References	[1]. Maeda K, et al. Spirodiketopiperazine-based CCR5 inhibitor which preserves CC-chemokine/CCR5 interactions and exerts potent activity against R5 human immunodeficiency virus type 1 in vitro. J Virol. 2004 Aug;78(16):8654-62.

Density	1.3±0.1 g/cm3
Boiling Point	800.6±65.0 °C at 760 mmHg
Molecular Formula	C₃₃H₄₃N₃O₆
Molecular Weight	577.711
Flash Point	438.0±34.3 °C
Exact Mass	577.315186
LogP	4.31
Vapour Pressure	0.0±3.0 mmHg at 25°C
Index of Refraction	1.630