| Identification | Back Directory | [Name]
1,2-Ethanedione, 1-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)- | [CAS]
357263-14-0 | [Synonyms]
1,2-Ethanedione, 1-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)- | [Molecular Formula]
C22H22N4O4 | [MOL File]
357263-14-0.mol | [Molecular Weight]
406.43 |
| Hazard Information | Back Directory | [Description]
BMS-378806 is an orally bioavailable HIV-1 inhibitor that interferes with gp120-CD4 interaction. | [Uses]
(S)-BMS-378806 ((S)-BMS-806) is an orally bioavailable HIV-1 inhibitor with activity against gp120-CD4 interactions. (S)-BMS-378806 exhibits micromolar inhibition of HIV-1 gp120-CD4 binding. The design and synthesis of (S)-BMS-378806 was based on a comprehensive study of protein-ligand interactions, which guided the identification and design of novel symmetrical N,N'-disubstituted aminoureas and thioureas. (S)-BMS-378806, synthesized in aqueous media using microwave irradiation, was validated for its inhibitory activity in HIV-1 gp120-CD4 capture ELISA[1]. | [References]
[1] Molecular docking guided structure based design of symmetrical N,N'-disubstituted urea/thiourea as HIV-1 gp120-CD4 binding inhibitors |
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