MedKoo Cat#: 529518 | Name: RDEA-806 free acid

Description:

WARNING: This product is for research use only, not for human or veterinary use.

RDEA-806, also known as AR-806 and VRX-806, is a reverse transcriptase inhibitor potentially for the treatment of HIV infection.

Chemical Structure

RDEA-806 free acid
RDEA-806 free acid
CAS#878670-61-2

Theoretical Analysis

MedKoo Cat#: 529518

Name: RDEA-806 free acid

CAS#: 878670-61-2

Chemical Formula: C24H18BrClN4O3S

Exact Mass:

Molecular Weight: 557.85

Elemental Analysis: C, 51.67; H, 3.25; Br, 14.32; Cl, 6.35; N, 10.04; O, 8.60; S, 5.75

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
878670-61-2 (free acid) 878670-63-4 (potassium salt)
Synonym
RDEA-806; AR-806; VRX-806; RDEA 806; AR 806; VRX 806; RDEA806; AR806; VRX806
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
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
1: La Regina G, Coluccia A, Silvestri R. Looking for an active conformation of the future HIV type-1 non-nucleoside reverse transcriptase inhibitors. Antivir Chem Chemother. 2010 Aug 11;20(6):213-37. doi: 10.3851/IMP1607. Review. PubMed PMID: 20710063. 2: Sweeney ZK, Klumpp K. Improving non-nucleoside reverse transcriptase inhibitors for first-line treatment of HIV infection: the development pipeline and recent clinical data. Curr Opin Drug Discov Devel. 2008 Jul;11(4):458-70. Review. PubMed PMID: 18600563.