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CXCR4-antagonist-4

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Category Human immunodeficiency Virus (HIV)
Description CXCR4 antagonist 4 is a potent, orally active CXCR4 antagonist (IC50=24 nM) with diminished CYP 2D6 activity, improved PAMPA permeability, potent inhibition of human immunodeficiency virus entry (IC50=7 nM).
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Product Information

Synonyms CXCR4 antagonist 4|NSC802910|NSC-802910|HY-144285|CS-0379081
Molecular Weight 497.67
Molecular Formula C29H41F2N5
Canonical SMILES CN(CCCCN(CC1CC2=C(CN1)C=CC=N2)C3CCCC4=C3N=CC=C4)C5CCC(CC5)(F)F
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 668
Exact Mass 497.33300265
In Vitro CXCR4 antagonist 4 (Compound 30, 0.1~10 µM, 48 hours) displays the inhibition potencies against the X4 virus in TZM-bl cells (IC50=7 nM).
In Vivo CXCR4 antagonist 4 (3, 10, 30 mg/kg) demonstrates better oral Bioavailability in a dose dependent and reached 27% for the 30 mg/kg.
Target CXCR4: 24 nM (IC50)
HIV: 7 nM (IC50)
XLogP3-AA 4.3

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