357263-14-0
Chemical Structure
(S)-BMS-378806
Synonym(s): (S)-BMS-806
- CAS No.: 357263-14-0
- Formula:C22H22N4O4
- Molecular Weight:406.43
IUPAC Name: (S)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
InChIKey: OKGPFTLYBPQBIX-AWEZNQCLSA-N
SMILES: C[C@@H]1N(CCN(C1)C(C2=CC=CC=C2)=O)C(C(C3=CNC4=NC=CC(OC)=C43)=O)=O
Biological Activity: (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].
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(S)-BMS-378806 | (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. | |||||||||||||||||||||
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