For research use only. Not for therapeutic Use.
BMS-378806（Cat No.:I003309）is a potent and selective inhibitor of the HIV-1 entry process. It targets the viral envelope glycoprotein gp120, specifically blocking the interaction between gp120 and the host cell’s CD4 receptor. By preventing viral fusion with the host cell membrane, BMS-378806 effectively inhibits the early stages of HIV-1 infection. This compound has been investigated for its potential as part of combination antiretroviral therapy, providing a valuable tool for disrupting HIV replication. Its specificity and mechanism of action make it an essential candidate for further HIV treatment research.
| 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 | HIV |
| Solubility | DMSO ≥80mg/mL Water <1.2mg/mL Ethanol ≥4.5mg/mL |
| Storage | 3 years -20C powder |
| IC50 | 5 nM |
| IUPAC Name | 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione |
| InChI | InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 |
| InChIKey | OKGPFTLYBPQBIX-CQSZACIVSA-N |
| SMILES | C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4 |
| 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 |
