WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H526723
CAS#: 1004523-72-1
Description: 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.
Hodoodo Cat#: H526723
Name: RDEA-806
CAS#: 1004523-72-1
Chemical Formula: C24H18BrClN4O3S
Exact Mass: 556.00
Molecular Weight: 557.847
Elemental Analysis: C, 51.67; H, 3.25; Br, 14.32; Cl, 6.35; N, 10.04; O, 8.60; S, 5.75
This product is not in stock, which may be available by custom synthesis.
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Synonym: VRX-806; VRX 806; VRX806; AR-806; AR 806; AR806; RDEA-806; RDEA 806; RDEA806.
IUPAC/Chemical Name: 4-(2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-chlorobenzoic acid
InChi Key: MPNGLQDRSJNLPL-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: O=C(O)C1=CC=C(NC(CSC2=NN=C(Br)N2C3=C4C=CC=CC4=C(C5CC5)C=C3)=O)C(Cl)=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 557.85 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
3: Moyle G, Boffito M, Stoehr A, Rieger A, Shen Z, Manhard K, Sheedy B, Hingorani
V, Raney A, Nguyen M, Nguyen T, Ong V, Yeh LT, Quart B. Phase 2a randomized
controlled trial of short-term activity, safety, and pharmacokinetics of a novel
nonnucleoside reverse transcriptase inhibitor, RDEA806, in HIV-1-positive,
antiretroviral-naive subjects. Antimicrob Agents Chemother. 2010
Aug;54(8):3170-8. doi: 10.1128/AAC.00268-10. Epub 2010 May 24. PubMed PMID:
20498326; PubMed Central PMCID: PMC2916334.
