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MedKoo Cat#: 528218 | Name: Tivirapine

Description:

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

Tivirapine, also known as R-86183, is a reverse transcriptase inhibitor potentially for the treatment of HIV infection.

Chemical Structure

Tivirapine
CAS#137332-54-8

Theoretical Analysis

MedKoo Cat#: 528218

Name: Tivirapine

CAS#: 137332-54-8

Chemical Formula: C16H20ClN3S

Exact Mass: 321.1066

Molecular Weight: 321.87

Elemental Analysis: C, 59.71; H, 6.26; Cl, 11.01; N, 13.06; S, 9.96

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
Tivirapine; R-86183; R 86183; R86183; 8-Cl-TIBO.
IUPAC/Chemical Name
(S)-5-chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione
InChi Key
ZNFFMCYSMBXZQU-NSHDSACASA-N
InChi Code
InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1
SMILES Code
S=C1NC2=C(N1C[C@H](C)N(C/C=C(C)\C)C3)C3=C(Cl)C=C2
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 321.87 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: De Clercq E. Another ten stories in antiviral drug discovery (part C): "Old" and "new" antivirals, strategies, and perspectives. Med Res Rev. 2009 Jul;29(4):611-45. doi: 10.1002/med.20153. Review. PubMed PMID: 19260077. 2: Witvrouw M, Pannecouque C, Van Laethem K, Desmyter J, De Clercq E, Vandamme AM. Activity of non-nucleoside reverse transcriptase inhibitors against HIV-2 and SIV. AIDS. 1999 Aug 20;13(12):1477-83. PubMed PMID: 10465070. 3: Zhou Z, Madura JD. Relative free energy of binding and binding mode calculations of HIV-1 RT inhibitors based on dock-MM-PB/GS. Proteins. 2004 Nov 15;57(3):493-503. PubMed PMID: 15382241. 4: Miller V, de Béthune MP, Kober A, Stürmer M, Hertogs K, Pauwels R, Stoffels P, Staszewski S. Patterns of resistance and cross-resistance to human immunodeficiency virus type 1 reverse transcriptase inhibitors in patients treated with the nonnucleoside reverse transcriptase inhibitor loviride. Antimicrob Agents Chemother. 1998 Dec;42(12):3123-9. PubMed PMID: 9835502; PubMed Central PMCID: PMC106010. 5: De Clercq E. Perspectives of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection. Farmaco. 1999 Jan-Feb;54(1-2):26-45. Review. PubMed PMID: 10321027.