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MedKoo Cat#: 591625 | Name: Thioacetanilide
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Description:

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

Thioacetanilide, purinylthioacetanilides derivative is being researched as a potent HIV-1 NNRTI.

Chemical Structure

Thioacetanilide
Thioacetanilide
CAS#637-53-6

Theoretical Analysis

MedKoo Cat#: 591625

Name: Thioacetanilide

CAS#: 637-53-6

Chemical Formula: C8H9NS

Exact Mass: 151.0500

Molecular Weight: 151.23

Elemental Analysis: C, 63.54; H, 6.00; N, 9.26; S, 21.20

Price and Availability

Size Price Availability Quantity
5g USD 380.00
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Related CAS #
No Data
Synonym
Thioacetanilide; NSC 36984; NSC-36984; NSC36984
IUPAC/Chemical Name
Acetanilide, thio-
InChi Key
MWCGLTCRJJFXKR-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
SMILES Code
CC(NC1=CC=CC=C1)=S
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 151.23 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: Lu X, Li X, Yang J, Huang B, Kang D, Zhao F, Zhou Z, De Clercq E, Daelemans D, Pannecouque C, Zhan P, Liu X. Arylazolyl(azinyl)thioacetanilides. Part 20: Discovery of novel purinylthioacetanilides derivatives as potent HIV-1 NNRTIs via a structure-based bioisosterism approach. Bioorg Med Chem. 2016 Sep 15;24(18):4424-4433. doi: 10.1016/j.bmc.2016.07.041. Epub 2016 Jul 21. PubMed PMID: 27501911. 2: Li X, Huang B, Zhou Z, Gao P, Pannecouque C, Daelemans D, De Clercq E, Zhan P, Liu X. Arylazolyl(azinyl)thioacetanilides: Part 19: Discovery of Novel Substituted Imidazo[4,5-b]pyridin-2-ylthioacetanilides as Potent HIV NNRTIs Via a Structure-based Bioisosterism Approach. Chem Biol Drug Des. 2016 Aug;88(2):241-53. doi: 10.1111/cbdd.12751. Epub 2016 Mar 24. PubMed PMID: 26914186. 3: Wan ZY, Yao J, Mao TQ, Wang XL, Wang HF, Chen WX, Yin H, Chen FE, De Clercq E, Daelemans D, Pannecouque C. Pyrimidine sulfonylacetanilides with improved potency against key mutant viruses of HIV-1 by specific targeting of a highly conserved residue. Eur J Med Chem. 2015 Sep 18;102:215-22. doi: 10.1016/j.ejmech.2015.08.007. Epub 2015 Aug 7. PubMed PMID: 26276435. 4: 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. 5: Li Z, Cao Y, Zhan P, Pannecouque C, Balzarini J, Clercq ED, Shen Y, Liu X. Arylazolylthioacetanilide. Part 11: design, synthesis and biological evaluation of 1,2,4-triazole thioacetanilide derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors. Med Chem. 2013 Nov;9(7):968-73. PubMed PMID: 23072552. 6: Li X, Zhan P, Liu H, Li D, Wang L, Chen X, Liu H, Pannecouque C, Balzarini J, De Clercq E, Liu X. Arylazolyl(azinyl)thioacetanilides. Part 10: design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors. Bioorg Med Chem. 2012 Sep 15;20(18):5527-36. doi: 10.1016/j.bmc.2012.07.026. Epub 2012 Jul 24. PubMed PMID: 22883027. 7: Zhan P, Wang L, Liu H, Chen X, Li X, Jiang X, Zhang Q, Liu X, Pannecouque C, Naesens L, De Clercq E, Liu A, Du G. Arylazolyl(azinyl)thioacetanilide. Part 9: Synthesis and biological investigation of thiazolylthioacetamides derivatives as a novel class of potential antiviral agents. Arch Pharm Res. 2012 Jun;35(6):975-86. doi: 10.1007/s12272-012-0604-y. Epub 2012 Jun 30. PubMed PMID: 22870806. 8: Zhan P, Liu XY, Li ZY, Fang ZJ, Pannecouque C, De Clercq E. 1,2,3-thiadiazole thioacetanilides. Part 2: Synthesis and biological evaluation of a new series of 2-{[4-(3,4-dichlorophenyl)-1,2,3-thiadiazol-5-yl]sulfanyl}acetanilides as HIV-1 inhibitors. Chem Biodivers. 2010 Jul;7(7):1717-27. doi: 10.1002/cbdv.200900197. PubMed PMID: 20658659. 9: Zhan P, Liu X, Fang Z, Pannecouque C, De Clercq E. 1,2,3-Selenadiazole thioacetanilides: synthesis and anti-HIV activity evaluation. Bioorg Med Chem. 2009 Sep 1;17(17):6374-9. doi: 10.1016/j.bmc.2009.07.027. Epub 2009 Jul 18. PubMed PMID: 19647440. 10: Zhan P, Liu X, Zhu J, Fang Z, Li Z, Pannecouque C, Clercq ED. Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors. Bioorg Med Chem. 2009 Aug 15;17(16):5775-81. doi: 10.1016/j.bmc.2009.07.028. Epub 2009 Jul 18. PubMed PMID: 19643613. 11: Wen L, Ji C, Li Y, Li M. Application of beta-(2-chloroaroyl)thioacetanilide in synthesis(III): an efficient three-component synthesis of thiochromeno[2,3-b]pyridines catalyzed by KF/neutral Al2O3 co-operated with PEG 6000 under microwave irradiation. J Comb Chem. 2009 Sep-Oct;11(5):799-805. doi: 10.1021/cc800136s. PubMed PMID: 19630426. 12: Zhan P, Liu X, Cao Y, Wang Y, Pannecouque C, De Clercq E. 1,2,3-Thiadiazole thioacetanilides as a novel class of potent HIV-1 non-nucleoside reverse transcriptase inhibitors. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5368-71. doi: 10.1016/j.bmcl.2008.09.055. Epub 2008 Sep 18. PubMed PMID: 18824350. 13: Michta A, Chełmecka E, Nowak M, Kusz J. Thioacetanilide at 120 K. Acta Crystallogr C. 2008 Aug;64(Pt 8):o411-3. doi: 10.1107/S0108270108017940. Epub 2008 Jul 5. PubMed PMID: 18682643. 14: Wen LR, Sun JH, Li M, Sun ET, Zhang SS. Application of beta-(2-chloroaroyl) thioacetanilides in synthesis: an unusual and highly efficient access to thiochromeno[2,3-b]pyridine derivatives. J Org Chem. 2008 Mar 7;73(5):1852-63. doi: 10.1021/jo7024702. Epub 2008 Jan 26. PubMed PMID: 18220410. 15: Radwan MA, Ragab EA, Sabry NM, El-Shenawy SM. Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents. Bioorg Med Chem. 2007 Jun 1;15(11):3832-41. Epub 2007 Mar 13. PubMed PMID: 17395469. 16: Muraglia E, Kinzel OD, Laufer R, Miller MD, Moyer G, Munshi V, Orvieto F, Palumbi MC, Pescatore G, Rowley M, Williams PD, Summa V. Tetrazole thioacetanilides: potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant. Bioorg Med Chem Lett. 2006 May 15;16(10):2748-52. Epub 2006 Feb 28. PubMed PMID: 16503141. 17: Dawood KM, Abdel-Gawad H, Rageb EA, Ellithey M, Mohamed HA. Synthesis, anticonvulsant, and anti-inflammatory evaluation of some new benzotriazole and benzofuran-based heterocycles. Bioorg Med Chem. 2006 Jun 1;14(11):3672-80. Epub 2006 Feb 7. PubMed PMID: 16464601. 18: Lippa KA, Roberts AL. Correlation analyses for bimolecular nucleophilic substitution reactions of chloroacetanilide herbicides and their structural analogs with environmentally relevant nucleophiles. Environ Toxicol Chem. 2005 Oct;24(10):2401-9. PubMed PMID: 16268142. 19: Kitai T, Nishio T, Miwa M, Yamaoka Y. Optical analysis of the cirrhotic liver by near-infrared time-resolved spectroscopy. Surg Today. 2004;34(5):424-8. PubMed PMID: 15108081. 20: Aĭzvert LG, Shidlovskaia LN, Aĭtkulov MT, Pospelova ZS, Riaskina VM. [Substantiation of maximum permissible levels of thioacylanilide in the air of work areas]. Gig Tr Prof Zabol. 1986 Jul;(7):51-2. Russian. PubMed PMID: 3744118.