HIV-1 inhibitor-51

Modify Date: 2025-08-26 16:44:03

HIV-1 inhibitor-51 Structure
HIV-1 inhibitor-51 structure
Common Name HIV-1 inhibitor-51
CAS Number 2834087-82-8 Molecular Weight 463.89
Density N/A Boiling Point N/A
Molecular Formula C24H19ClFN5O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Use of HIV-1 inhibitor-51


HIV-1 inhibitor-51, a non-nucleoside reverse transcriptase inhibitor (NNRTI), exhibits outstanding antiviral activity against WT HIV-1 (IIIB) and a panel of mutant strains. HIV-1 inhibitor-51 has high binding affinity (KD=2.50 μM) and inhibitory activity (IC50=0.03 μM) to WT HIV-1 RT. HIV-1 inhibitor-51 has EC50s of 2.22-53.3 nM for mutant strains(L100I, K103N, Y181C, Y188L, E138K, F227L + V106A, RES056)[1].

 Names

Name HIV-1 inhibitor-51

 HIV-1 inhibitor-51 Biological Activity

Description HIV-1 inhibitor-51, a non-nucleoside reverse transcriptase inhibitor (NNRTI), exhibits outstanding antiviral activity against WT HIV-1 (IIIB) and a panel of mutant strains. HIV-1 inhibitor-51 has high binding affinity (KD=2.50 μM) and inhibitory activity (IC50=0.03 μM) to WT HIV-1 RT. HIV-1 inhibitor-51 has EC50s of 2.22-53.3 nM for mutant strains(L100I, K103N, Y181C, Y188L, E138K, F227L + V106A, RES056)[1].
Related Catalog
Target

HIV-1 (WT):0.03 μM (IC50)

HIV-1 (WT):2.5 μM (Kd)

HIV-1 (L100I):3.04 nM (EC50)

HIV-1 (K103N):2.87 nM (EC50)

HIV-1 (Y181C):10.2 nM (EC50)

HIV-1 (Y188L):13.2 nM (EC50)

HIV-1 (E138K):9.77 nM (EC50)

HIV-1 (F227L+V106A):19.8 nM (EC50)

HIV-1 (RES056):53.3 nM (EC50)

In Vivo HIV-1 inhibitor-51 (化合物 36a·HCl; 2 mg/kg; 静脉给药) 的T1/2为1.43小时,CL为103 L/h·kg,Cmax 为 484 ng/mL[1]。 HIV-1 inhibitor-51 (10 mg/kg; 口服) 的 T1/2 为 5.12 小时,Cmax 为 37.5 ng/mL[ 1]。 Animal Model: ICR mice[1] Dosage: 2 mg/kg Administration: IV Result: Had a T1/2 of 5.12 hours, and Cmax of 37.5 ng/mL.
References

[1]. Yanying Sun, et al. Lead Optimization and Avoidance of Metabolic-perturbing Motif Developing Novel Diarylpyrimidines as Potent HIV-1 NNRTIs. J Med Chem. 2022 Dec 8;65(23):15608-15626.  

 Chemical & Physical Properties

Molecular Formula C24H19ClFN5O2
Molecular Weight 463.89
InChIKey CBUZARNVPFYBDA-BJILWQEISA-N
SMILES Cc1cc(C=CC#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2c1COC2.Cl
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