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MedKoo Cat#: 328056 | Name: Talviraline

Description:

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

Talviraline, also known as Bay-10-8979; HBY-097; is a RNA-directed DNA polymerase inhibitor potentially for the treatment of HIV infection. HBY 097 was shown to be a highly potent inhibitor of HIV-1 induced cell killing and HIV-1 replication in a variety of human cell lines as well as in fresh human peripheral blood lymphocytes and macrophages.

Chemical Structure

Talviraline
Talviraline
CAS#163451-80-7

Theoretical Analysis

MedKoo Cat#: 328056

Name: Talviraline

CAS#: 163451-80-7

Chemical Formula: C15H20N2O3S2

Exact Mass: 340.0915

Molecular Weight: 340.46

Elemental Analysis: C, 52.92; H, 5.92; N, 8.23; O, 14.10; S, 18.83

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Talviraline, Bay-10-8979, Bay 10-8979, Bay10-8979, Bay-108979, Bay 108979, Bay108979, HBY-097, HBY097
IUPAC/Chemical Name
1-Methylethyl 7-methoxy-2-((methylthio)methyl)-3-thioxo-3,4-dihydro-1(2H)-quinoxalinecarboxylate
InChi Key
GWKIPRVERALPRD-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)
SMILES Code
O=C(N1C(CSC)C(NC2=C1C=C(OC)C=C2)=S)OC(C)C
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 340.46 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: Das K, Sarafianos SG, Clark AD Jr, Boyer PL, Hughes SH, Arnold E. Crystal structures of clinically relevant Lys103Asn/Tyr181Cys double mutant HIV-1 reverse transcriptase in complexes with ATP and non-nucleoside inhibitor HBY 097. J Mol Biol. 2007 Jan 5;365(1):77-89. PubMed PMID: 17056061. 2: Hayashi S, Jayesekera D, Jayewardene A, Shah A, Thevanayagam L, Aweeka F. Altered pharmacokinetics of indinavir by a novel nonnucleoside reverse transcriptase inhibitor (HBY-097): a pharmacokinetic evaluation in HIV-positive patients. J Clin Pharmacol. 1999 Oct;39(10):1085-93. PubMed PMID: 10516944. 3: Rübsamen-Waigmann H, Huguenel E, Shah A, Paessens A, Ruoff HJ, von Briesen H, Immelmann A, Dietrich U, Wainberg MA. Resistance mutations selected in vivo under therapy with anti-HIV drug HBY 097 differ from resistance pattern selected in vitro. Antiviral Res. 1999 May;42(1):15-24. PubMed PMID: 10333139. 4: Kleim JP, Winters M, Dunkler A, Suarez JR, Riess G, Winkler I, Balzarini J, Oette D, Merigan TC. Antiviral activity of the human immunodeficiency virus type 1-specific nonnucleoside reverse transcriptase inhibitor HBY 097 alone and in combination with zidovudine in a phase II study. HBY 097/2001 Study Group. J Infect Dis. 1999 Mar;179(3):709-13. PubMed PMID: 9952383. 5: Hsiou Y, Das K, Ding J, Clark AD Jr, Kleim JP, Rösner M, Winkler I, Riess G, Hughes SH, Arnold E. Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. J Mol Biol. 1998 Nov 27;284(2):313-23. PubMed PMID: 9813120. 6: Agarwal VK, Krol GJ, Krone V, Roberts D. Quantitative analysis of HBY 097 and its metabolites in human serum and urine by HPLC. J Pharm Biomed Anal. 1998 Mar;16(7):1195-203. PubMed PMID: 9571537. 7: Balzarini J, Pelemans H, Riess G, Roesner M, Winkler I, De Clercq E, Kleim JP. Retention of marked sensitivity to (S)-4-isopropoxycarbonyl-6-methoxy-3-(methylthiomethyl)-3,4-di hydroquin oxaline-2(1H)-thione (HBY 097) by an azidothymidine (AZT)-resistant human immunodeficiency virus type 1 (HIV-1) strain subcultured in the combined presence of quinoxaline HBY 097 and 2',3'-dideoxy-3'-thiacytidine (lamivudine). Biochem Pharmacol. 1998 Mar 1;55(5):617-25. PubMed PMID: 9515572. 8: Balzarini J, Pelemans H, Riess G, Roesner M, Winkler I, De Clercq E, Kleim JP. Zidovudine-resistant human immunodeficiency virus type 1 strains subcultured in the presence of both lamivudine and quinoxaline HBY 097 retain marked sensitivity to HBY 097 but not to lamivudine. J Infect Dis. 1997 Nov;176(5):1392-7. PubMed PMID: 9359746. 9: Kleim JP, Winkler I, Rösner M, Kirsch R, Rübsamen-Waigmann H, Paessens A, Riess G. In vitro selection for different mutational patterns in the HIV-1 reverse transcriptase using high and low selective pressure of the nonnucleoside reverse transcriptase inhibitor HBY 097. Virology. 1997 Apr 28;231(1):112-8. PubMed PMID: 9143309. 10: Los Angeles, New York, Stanford University: HBY 097, new drug may weaken HIV. AIDS Treat News. 1995 Oct 6;(no 232):4. PubMed PMID: 11362877. 11: Kleim JP, Bender R, Kirsch R, Meichsner C, Paessens A, Rösner M, Rübsamen-Waigmann H, Kaiser R, Wichers M, Schneweis KE, et al. Preclinical evaluation of HBY 097, a new nonnucleoside reverse transcriptase inhibitor of human immunodeficiency virus type 1 replication. Antimicrob Agents Chemother. 1995 Oct;39(10):2253-7. PubMed PMID: 8619578; PubMed Central PMCID: PMC162925.

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