| Identification | Back Directory | [Name]
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro-, hydrochloride (1:1) | [CAS]
2834087-82-8 | [Synonyms]
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro-, hydrochloride (1:1) | [Molecular Formula]
C24H18FN5O2.ClH | [MOL File]
2834087-82-8.mol | [Molecular Weight]
463.89 |
| Hazard Information | Back Directory | [Uses]
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]. | [in vivo]
HIV-1 inhibitor-51 (compound 36a·HCl; 2 mg/kg; iv) has a T1/2 of 1.43 hours, a CL of 103 L/h·kg, and Cmax of 484 ng/mL[1].
HIV-1 inhibitor-51 (10 mg/kg; orally) has a T1/2 of 5.12 hours, and Cmax of 37.5 ng/mL[1].
| Animal Model: | ICR mice[1] | | Dosage: | 2 mg/kg (Pharmacokinetic Analysis) | | Administration: | IV | | Result: | Had a T1/2 of 5.12 hours, and Cmax of 37.5 ng/mL. |
| [IC 50]
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) | [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. DOI:10.1021/acs.jmedchem.2c00576 |
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