Talviraline

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

MedKoo CAT#: 328056

CAS#: 163451-80-7

Description: 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

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Talviraline
CAS# 163451-80-7
Instruction

Theoretical Analysis

MedKoo Cat#: 328056
Name: Talviraline
CAS#: 163451-80-7
Chemical Formula: C15H20N2O3S2
Exact Mass: 340.09
Molecular Weight: 340.456
Elemental Analysis: C, 52.92; H, 5.92; N, 8.23; O, 14.10; S, 18.83

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.