-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
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- Flavivirus
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- Hepatitis B Virus (HBV)
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- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
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- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
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- Virus Protease
- West Nile virus
- Antiviral intermediates
BMS-626529
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 701213-36-7 |
| Description | BMS-626529 is a member of the new drug class of HIV-1 attachment inhibitors currently in development. BMS-663068 is the phosphonooxymethyl prodrug of BMS-626529, a novel small-molecule attachment inhibitor that targets HIV-1 gp120 and prevents its binding to CD4(+) T cells. The activity of BMS-626529 is virus dependent, due to heterogeneity within gp120. Research result suggest that BMS-626529 should be active against the majority of HIV-1 viruses and support the continued clinical development of the compound. |
Product Information
| Synonyms | BMS626529; BMS 626529; BMS-626529; Temsavir |
| IUPAC Name | 1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione |
| Molecular Weight | 473.493 |
| Molecular Formula | C24H23N7O4 |
| Canonical SMILES | CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC |
| InChI | InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3 |
| InChIKey | QRPZBKAMSFHVRW-UHFFFAOYSA-N |
| Boiling Point | 787.6±70.0 °C at 760 mmHg |
| Flash Point | 430.1±35.7 °C |
| Purity | 98% |
| Density | 1.5±0.1 g/cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| 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 month |
| Complexity | 799 |
| Exact Mass | 473.18115224 |
| Index Of Refraction | 1.722 |
| In Vitro | Temsavir has half-maximal effective concentration (EC50) values of <10 nM against the vast majority of viral isolates. Temsavir exhibits an average EC50 against LAI virus of 0.7±0.4 nM. Temsavir exhibits an EC50 of 0.01 nM against the most susceptible virus and an EC50 of >2,000 nM against the least susceptible virus. The cytotoxicity profile of Temsavir is examined in several cell types from different human tissues. CC50 values of >200 μM are observed in MT-2 (T lymphocytes), HEK293 (kidney), HEp-2 (larynx), HepG2 (liver), HeLa (cervix), HCT116 (colorectal), MCF-7 (breast), SK-N-MC (neuroepithelium), HOS (bone), H292 (lung), and MDBK (bovine kidney) cells measured after 3 or 6 days in culture. CC50 values of 105 and 192 μM are obtained in the T-cell line PM1 and in PBMCs, respectively, following 6 days in culture. These results show that Temsavir exhibits low cytotoxicity in cell culture. Temsavir exhibits a broad spectrum of antiviral activity against a panel of clinical isolates, with a 50% inhibitory concentration (IC50) ranging from subnanomolar levels to >0.1 µM. |
| PSA | 126.31000 |
| Target | HIV |
| Vapor Pressure | 0.0±2.7 mmHg at 25°C |
| XLogP3-AA | 1.7 |
