1. Metabolic Enzyme/Protease
  2. HIV Integrase
  3. (S)-BI-1001

(S)-BI-1001 

Cat. No.: HY-12210
Handling Instructions

(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.

(S)-BI-1001 Chemical Structure

(S)-BI-1001 Chemical Structure

CAS No. : 957889-73-5

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Description

(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[1].

IC50 & Target

IC50: 28 nM (HIV-1 integrase)[1]
EC50: 450 nM (HIV-1 integrase)[1]
Kd: 4.7 μM (HIV-1 integrase)[1]

In Vitro

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].

Molecular Weight

420.68

Formula

C₁₉H₁₅BrClNO₃

CAS No.

957889-73-5

SMILES

ClC1=CC=C(C2=C(C=C(Br)C=C3)C3=NC(C)=C2[[email protected]](OC)C(O)=O)C=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

References
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Keywords:

(S)-BI-1001HIV IntegraseS-enantiomerintrinsicantiviralC3substituentintegraseCCDHIV-1Inhibitorinhibitorinhibit

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