Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro-

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Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro- manufacturers
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro- Basic information
Product Name:Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro-
Synonyms:Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro-;HIV-1 inhibitor-50
CAS:2834087-69-1
MF:C24H18FN5O2
MW:427.43
EINECS:
Product Categories:
Mol File:2834087-69-1.mol
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro- Structure
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro- Chemical Properties
Boiling point 643.5±65.0 °C(Predicted)
density 1.38±0.1 g/cm3(Predicted)
pka3.30±0.20(Predicted)
Safety Information
MSDS Information
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro- Usage And Synthesis
UsesHIV-1 invistor-50 is a non-nucleoside reverse transcriptase inhibitor (NNRTI) that targets HIV-1 reverse transcriptase (RT) (IC50=50 nM). HIV-1 inhibitor-50 shows significant antiviral activity, with EC50s of 2.22-53.3nM against HIV-1 IIIB and its mutant strains[1].
in vivo

HIV-1 inhibitor-50 (compound 36a) (hydrochloride; 2 mg/kg; i.v.; single dose) has a high clearance (CL=103 L/h/kg) and a modest half-life (T1/2=1.43 h)[1].
HIV-1 inhibitor-50 (hydrochloride; 2000 mg/kg; p.o.; single dose) doesn’t result any abnormal behaviors or significant changes in body weight compared with the control in 7 days, indicating no acute toxicity[1].

Pharmacokinetic Analysis[1]

RouteDose (mg/kg)T1/2 (h)Tmax (h)Cmax (ng/mL)AUC0-t (h·ng/mL)AUC0-∞ (h·ng/mL)CL (L/h/kg)F (%)
i.v.21.430484250255103/
p.o.105.120.2537.5107154/12.1
IC 50HIV-1 (WT): 3.04 nM (EC50); 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)
References[1] Sun Y, 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
Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro- Preparation Products And Raw materials
Tag:Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]amino]-2-fluoro-(2834087-69-1) Related Product Information
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