For research use only. Not for therapeutic Use.
BMS-378806（Cat No.:I003309）, also known as BMS 806, is a selective inhibitor that targets the binding of HIV-1 gp120 protein to the CD4 receptor. It exhibits an effective concentration (EC50) range of 0.85-26.5 nM. By blocking this specific interaction, BMS-378806 disrupts the initial step of HIV-1 entry into host cells, preventing viral attachment and subsequent infection. The selective inhibition of gp120-CD4 binding demonstrates the potential of BMS-378806 as a therapeutic agent in combating HIV-1 infection.
| Catalog Number | I003309 |
| CAS Number | 357263-13-9 |
| Synonyms | 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione |
| Molecular Formula | C22H22N4O4 |
| Purity | ≥95% |
| Target | gp120/CD4 |
| Solubility | DMSO ≥80mg/mL Water <1.2mg/mL Ethanol ≥4.5mg/mL |
| Storage | 3 years -20C powder |
| IC50 | 5 nM |
| InChIKey | OKGPFTLYBPQBIX-CQSZACIVSA-N |
| Reference | </br>1:Discovery of small molecular inhibitors targeting HIV-1 gp120-CD4 interaction drived from BMS-378806. Liu T, Huang B, Zhan P, De Clercq E, Liu X.Eur J Med Chem. 2014 Oct 30;86:481-90. doi: 10.1016/j.ejmech.2014.09.012. Epub 2014 Sep 6. Review. PMID: 25203778 </br>2:Quantitative determination of BMS-378806 in human plasma and urine by high-performance liquid chromatography/tandem mass spectrometry. Xue YJ, Yan JH, Arnold M, Grasela D, Unger S.J Sep Sci. 2007 Jun;30(9):1267-75. PMID: 17623467 </br>3:Prediction of the binding mode between BMS-378806 and HIV-1 gp120 by docking and molecular dynamics simulation. Kong R, Tan JJ, Ma XH, Chen WZ, Wang CX.Biochim Biophys Acta. 2006 Apr;1764(4):766-72. Epub 2006 Jan 18. PMID: 16455315 </br>4:Preclinical pharmacokinetics of a novel HIV-1 attachment inhibitor BMS-378806 and prediction of its human pharmacokinetics. Yang Z, Zadjura L, D/’Arienzo C, Marino A, Santone K, Klunk L, Greene D, Lin PF, Colonno R, Wang T, Meanwell N, Hansel S.Biopharm Drug Dispos. 2005 Dec;26(9):387-402. PMID: 16142720 </br>5:Predicted genotypic resistance to the novel entry inhibitor, BMS-378806, among HIV-1 isolates of subtypes A to G. Moore PL, Cilliers T, Morris L.AIDS. 2004 Nov 19;18(17):2327-30. PMID: 15577547 </br>6:Discovery of 4-benzoyl-1-[(4-methoxy-1H- pyrrolo[2,3-b]pyridin-3-yl)oxoacetyl]-2- (R)-methylpiperazine (BMS-378806): a novel HIV-1 attachment inhibitor that interferes with CD4-gp120 interactions. Wang T, Zhang Z, Wallace OB, Deshpande M, Fang H, Yang Z, Zadjura LM, Tweedie DL, Huang S, Zhao F, Ranadive S, Robinson BS, Gong YF, Ricarrdi K, Spicer TP, Deminie C, Rose R, Wang HG, Blair WS, Shi PY, Lin PF, Colonno RJ, Meanwell NA.J Med Chem. 2003 Sep 25;46(20):4236-9. PMID: 13678401 |
