RDEA-806

• CAT Number: I008991
• CAS Number: 1004523-72-1
• Molecular Formula: C24H18BrClN4O3S
• Molecular Weight: 557.847
• Purity: ≥95%
• Synonyms: VRX-806; VRX 806; VRX806; AR-806; AR 806; AR806; RDEA-806; RDEA 806; RDEA806.;4-(2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-chlorobenzoic acid
• Solubility: Soluble in DMSO, not in water
• Storage: 0 - 4 °C for short term, or -20 °C for long term
• IUPAC Name: 4-[[2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid
• InChI: InChI=1S/C24H18BrClN4O3S/c25-23-28-29-24(34-12-21(31)27-19-9-7-14(22(32)33)11-18(19)26)30(23)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20/h1-4,7-11,13H,5-6,12H2,(H,27,31)(H,32,33)
• InChIKey: MPNGLQDRSJNLPL-UHFFFAOYSA-N
• SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)NC5=C(C=C(C=C5)C(=O)O)Cl

RDEA-806, also known as VRX-806; or AR-806, is a novel nonnucleoside reverse transcriptase inhibitor (NNRTI) with potent in vitro activity against wild-type and NNRTI-resistant HIV-1.

Reference

1:Li W, Li X, De Clercq E, Zhan P, Liu X. Discovery of potent HIV-1 non-nucleoside reverse transcriptase inhibitors from arylthioacetanilide structural motif. Eur J Med Chem. 2015 Sep 18;102:167-79. doi: 10.1016/j.ejmech.2015.07.043. Epub 2015 Jul 26. Review. PubMed PMID: 26276432.2:Usach I, Melis V, Peris JE. Non-nucleoside reverse transcriptase inhibitors: a review on pharmacokinetics, pharmacodynamics, safety and tolerability. J Int AIDS Soc. 2013 Sep 4;16:1-14. doi: 10.7448/IAS.16.1.18567. Review. PubMed PMID: 24008177; PubMed Central PMCID: PMC3764307.