WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H562297
CAS#: 280571-30-4
Description: S-1360 is a HIV-1 integrase inhibitor.
Hodoodo Cat#: H562297
Name: S-1360
CAS#: 280571-30-4
Chemical Formula: C16H12FN3O3
Exact Mass: 313.09
Molecular Weight: 313.280
Elemental Analysis: C, 61.34; H, 3.86; F, 6.06; N, 13.41; O, 15.32
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 @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.
Synonym: S-1360; S 1360; S1360; GSK-S-1360; GW810781; GW-810781; GW 810781; GSKS1360; GSK S 1360;
IUPAC/Chemical Name: (Z)-1-[5-[(4-Fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
InChi Key: HFHDGHOGHWXXDT-ZSOIEALJSA-N
InChi Code: InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-
SMILES Code: O=C(C1=CC=C(CC2=CC=C(F)C=C2)O1)/C=C(O)/C3=NC=NN3
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: |
The following data is based on the product molecular weight 313.28 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.
| 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: |
1: Kashyap T, Germain E, Roche M, Lyle S, Rabinovitz I. Role of β4 integrin phosphorylation in human invasive squamous cell carcinoma: regulation of hemidesmosome stability modulates cell migration. Lab Invest. 2011 Oct;91(10):1414-26. doi: 10.1038/labinvest.2011.104. Epub 2011 Jul 18. PubMed PMID: 21769085; PubMed Central PMCID: PMC3184203.
2: Huang M, Grant GH, Richards WG. Binding modes of diketo-acid inhibitors of HIV-1 integrase: a comparative molecular dynamics simulation study. J Mol Graph Model. 2011 Jun;29(7):956-64. doi: 10.1016/j.jmgm.2011.04.002. Epub 2011 Apr 9. PubMed PMID: 21531158; PubMed Central PMCID: PMC3101338.
3: Bacchi A, Carcelli M, Compari C, Fisicaro E, Pala N, Rispoli G, Rogolino D, Sanchez TW, Sechi M, Neamati N. HIV-1 IN strand transfer chelating inhibitors: a focus on metal binding. Mol Pharm. 2011 Apr 4;8(2):507-19. doi: 10.1021/mp100343x. Epub 2011 Mar 8. PubMed PMID: 21323359.
4: Barreca ML, Iraci N, De Luca L, Chimirri A. Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors. ChemMedChem. 2009 Sep;4(9):1446-56. doi: 10.1002/cmdc.200900166. PubMed PMID: 19544345.
5: Garvey EP, Schwartz B, Gartland MJ, Lang S, Halsey W, Sathe G, Carter HL 3rd, Weaver KL. Potent inhibitors of HIV-1 integrase display a two-step, slow-binding inhibition mechanism which is absent in a drug-resistant T66I/M154I mutant. Biochemistry. 2009 Feb 24;48(7):1644-53. doi: 10.1021/bi802141y. PubMed PMID: 19178153.
6: Nakahara K, Wakasa-Morimoto C, Kobayashi M, Miki S, Noshi T, Seki T, Kanamori-Koyama M, Kawauchi S, Suyama A, Fujishita T, Yoshinaga T, Garvey EP, Johns BA, Foster SA, Underwood MR, Sato A, Fujiwara T. Secondary mutations in viruses resistant to HIV-1 integrase inhibitors that restore viral infectivity and replication kinetics. Antiviral Res. 2009 Feb;81(2):141-6. doi: 10.1016/j.antiviral.2008.10.007. Epub 2008 Nov 21. PubMed PMID: 19027039.
7: Kobayashi M, Nakahara K, Seki T, Miki S, Kawauchi S, Suyama A, Wakasa-Morimoto C, Kodama M, Endoh T, Oosugi E, Matsushita Y, Murai H, Fujishita T, Yoshinaga T, Garvey E, Foster S, Underwood M, Johns B, Sato A, Fujiwara T. Selection of diverse and clinically relevant integrase inhibitor-resistant human immunodeficiency virus type 1 mutants. Antiviral Res. 2008 Nov;80(2):213-22. doi: 10.1016/j.antiviral.2008.06.012. Epub 2008 Jul 14. PubMed PMID: 18625269.
8: Chen X, Tsiang M, Yu F, Hung M, Jones GS, Zeynalzadegan A, Qi X, Jin H, Kim CU, Swaminathan S, Chen JM. Modeling, analysis, and validation of a novel HIV integrase structure provide insights into the binding modes of potent integrase inhibitors. J Mol Biol. 2008 Jul 11;380(3):504-19. doi: 10.1016/j.jmb.2008.04.054. Epub 2008 May 1. PubMed PMID: 18565342.
9: Hombrouck A, Voet A, Van Remoortel B, Desadeleer C, De Maeyer M, Debyser Z, Witvrouw M. Mutations in human immunodeficiency virus type 1 integrase confer resistance to the naphthyridine L-870,810 and cross-resistance to the clinical trial drug GS-9137. Antimicrob Agents Chemother. 2008 Jun;52(6):2069-78. doi: 10.1128/AAC.00911-07. Epub 2008 Mar 31. PubMed PMID: 18378713; PubMed Central PMCID: PMC2415791.
10: Dayam R, Al-Mawsawi LQ, Neamati N. Substituted 2-pyrrolinone inhibitors of HIV-1 integrase. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6155-9. Epub 2007 Sep 20. PubMed PMID: 17911021.
11: Alves CN, Martí S, Castillo R, Andrés J, Moliner V, Tuñón I, Silla E. A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integrase. Chemistry. 2007;13(27):7715-24. PubMed PMID: 17570717.
12: Nair V, Chi G. HIV integrase inhibitors as therapeutic agents in AIDS. Rev Med Virol. 2007 Jul-Aug;17(4):277-95. Review. PubMed PMID: 17503547.
13: Dayam R, Al-Mawsawi LQ, Neamati N. HIV-1 integrase inhibitors: an emerging clinical reality. Drugs R D. 2007;8(3):155-68. Review. PubMed PMID: 17472411.
14: Alves CN, Martí S, Castillo R, Andrés J, Moliner V, Tuñón I, Silla E. Calculation of binding energy using BLYP/MM for the HIV-1 integrase complexed with the S-1360 and two analogues. Bioorg Med Chem. 2007 Jun 1;15(11):3818-24. Epub 2007 Mar 13. PubMed PMID: 17420131.
15: Wang C, Zhao GS. [Advances in the study of HIV-1 integrase inhibitor of aryl beta-diketoacids]. Yao Xue Xue Bao. 2006 Sep;41(9):801-7. Review. Chinese. PubMed PMID: 17111823.
16: Dayam R, Sanchez T, Neamati N. Diketo acid pharmacophore. 2. Discovery of structurally diverse inhibitors of HIV-1 integrase. J Med Chem. 2005 Dec 15;48(25):8009-15. PubMed PMID: 16335925.
17: Akimov DV, Filimonov DA, Prikazchikova TA, Gottikh MB, Poroĭkov VV. [Computer search for novel HIV-1 integrase inhibitors]. Biomed Khim. 2005 May-Jun;51(3):335-40. Russian. PubMed PMID: 16104397.
18: Barbaro G, Scozzafava A, Mastrolorenzo A, Supuran CT. Highly active antiretroviral therapy: current state of the art, new agents and their pharmacological interactions useful for improving therapeutic outcome. Curr Pharm Des. 2005;11(14):1805-43. Review. PubMed PMID: 15892677.
19: Dayam R, Sanchez T, Clement O, Shoemaker R, Sei S, Neamati N. Beta-diketo acid pharmacophore hypothesis. 1. Discovery of a novel class of HIV-1 integrase inhibitors. J Med Chem. 2005 Jan 13;48(1):111-20. PubMed PMID: 15634005.
20: Fikkert V, Hombrouck A, Van Remoortel B, De Maeyer M, Pannecouque C, De Clercq E, Debyser Z, Witvrouw M. Multiple mutations in human immunodeficiency virus-1 integrase confer resistance to the clinical trial drug S-1360. AIDS. 2004 Oct 21;18(15):2019-28. PubMed PMID: 15577623.
