(S)-BI-1001
(S)-BI-1001 (Compound 11) is an active S-enantiomer of BI-1001. (S)-BI-1001 exhibits antiviral potency against HIV-1 integrase with an IC50 of 28 nM, an EC50 of 450 nM and a Kd of 4.7 μM.
For research use only. We do not sell to patients.
- CAS No.: 957889-73-5
- Formula: C19H15BrClNO3
- Molecular Weight:420.68
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
IC50: 28 nM (HIV-1 integrase)[1]
EC50: 450 nM (HIV-1 integrase)[1]
Kd: 4.7 μM (HIV-1 integrase)[1]
The C3 substituent is critical to the binding of (S)-BI-1001 (Compound 11) to the CCD of integrase and makes two key contacts with the protein: (a) a bivalent hydrogen bonding interaction with protein backbone at residues E170 and H171, and (b) a van der Waals contact deep in the hydrophobic pocket via the methoxyl group. The quinoline scaffold lies flat on the surface of the protein partially covering residues 124 and 125 and makes productive contact with the methyl group of A128[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 957889-73-5
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Molecular Weight 420.68
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Formula C19H15BrClNO3
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SMILES
ClC1=CC=C(C2=C(C=C(Br)C=C3)C3=NC(C)=C2[C@H](OC)C(O)=O)C=C1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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