-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
BMS-378806
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 357263-13-9 |
| Description | BMS-378806 selectively inhibits the binding of HIV-1 gp120 to the CD4 receptor with EC50 of 0.85-26.5 nM in virus. |
Product Information
| Synonyms | BMS-378806; BMS 378806; BMS378806; BMS-806; BMS806; Bms 806. |
| Molecular Weight | 406.43 |
| Molecular Formula | C22H22N4O4 |
| Canonical SMILES | CC1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4 |
| 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 |
| Boiling Point | 622.3°C at 760 mmHg |
| Flash Point | 330.2°C |
| Purity | >98% |
| Density | 1.3±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : 16.67 mg/mL(41.02 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 1.67 mg/mL (4.11 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 1.67 mg/mL (4.11 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 1.67 mg/mL (4.11 mM); Clear solution |
| Appearance | White to off-white (Solid) |
| Storage | Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months |
| Animal Admin | BMS-378806 is orally bioavailable in rats in the form of a solution of PEG 400 / EtOH (90: 10v / v) at a dose of 5 mg / kg of 19%, while the aqueous crystalline suspension of free bases is 0.75%. (w/w) Methocel A4M Premium is administered orally in the same dose with a relative bioavailability of 61%. |
| Complexity | 666 |
| Exact Mass | 406.16410520 |
| Index Of Refraction | 1.647 |
| In Vitro | BMS-378806 is not a potent inhibitor of HIV integrase, protease, or reverse transcriptase in a series of biochemical assays, but does compete with soluble CD4 in the ELISA assay with gp120 in the monomer form, IC50 = 100 nM. The specificity of BMS-378806 for HIV-1 inhibition was confirmed by evaluation of HIV-2, SIV, MuLV, RSV, HCMV, BVDV, VSV and Influenza Viruses, with no significant inhibitory activity observed in the concentration range of 10-30. μM and no apparent cytotoxicity to host cells, CC50>225 μM. |
| In Vivo | In toxicological studies, BMS-378806 was tolerated for 2 weeks at a dose of 100 mg/kg/day in rats and 90 mg/kg for 10 days in dogs. When applying BMS-378806 in solution or suspension formulation, a proportional increase in the dose of AUC and Cmax was observed between doses of 5 and 25 mpk. In all three species, plasma levels of the drug exceeded the concentrations needed to maximize viral replication in vitro half. BMS-378806 has a volume of distribution ranging from 0.4 to 0.6 L/kg, indicating that the distribution exceeds plasma; However, examination of the rat brain level shows minimal CNS penetration. |
| PSA | 95.60000 |
| Target | HIV |
| XLogP3-AA | 2 |
