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3033486-43-7

3033486-43-7 Structure

3033486-43-7 Structure
IdentificationBack Directory
[Name]

[1,1′-Biphenyl]-3-carbonitrile, 5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-3′-methyl-
[CAS]

3033486-43-7
[Synonyms]

[1,1′-Biphenyl]-3-carbonitrile, 5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-3′-methyl-
[Molecular Formula]

C24H18F3N5O3
[MOL File]

3033486-43-7.mol
[Molecular Weight]

481.43
Chemical PropertiesBack Directory
[density ]

1.39±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka]

8.05±0.20(predicted)
Hazard InformationBack Directory
[Uses]

ZLM-66 is a potent non-nucleoside reverse transcriptase inhibitor (NNRTIs) with an IC50 of 41 nM for wild-type (WT) HIV-1 reverse transcriptase and an EC50 value of 13 nM for wild-type HIV-1. ZLM-66 is a Doravirine (HY-16767) analogs. ZLM-66 can be used for the research of AIDS[1].
[in vivo]

Zlm-66 (1-5 mg/kg; i.v. and p.o. once) shows good druggability and have a good effect in vivo after oral administration[1].

1.19Pharmacokinetic Parameters of ZLM-66 in rat[1].
/tr> /tr>
Rat
IV 1 mg/kg		Rat
PO 5 mg/kg
T1/2 (h)1.90±0.288.45±4.88
Tmax (h)0.08±0.006.67±1.15
Cmax (ng/mL)468.67±63.09583.33±290.11
AUC0-t (h*ng/ml)891.94±79.304983.22±3220.11
AUC0-∞ (h*ng/ml)940.41±105.006594.05±1547.74
CL (ml/h/kg)1072.31±120.40791.14±210.66
MRT0-t (h)2.03±0.26.79±1.90
MRT0-∞ (h)2.48±0.3513.92±6.44
F (%)140.24
Animal Model:Six- to 8-week-old male Sprague-Dawley rats (180?230 g)[1]
Dosage:1, 5 mg/kg
Administration:Intravenous injection, oral gavage; 1-5 mg/kg; once
Result:Possed a better in vivo effect of oral administration with half-life, plasma clearance and oral bioavailability of 8.45 h, 791.14 ml/h/kg and 140.24% respectively.
[IC 50]

HIV-1 (WT): 13 nM (EC50); HIV-1 (K103N): 13 nM (EC50); HIV-1 (L100I): 24 nM (EC50); HIV-1 (E138K): 25 nM (EC50); HIV-1 (Y181C): 58 nM (EC50); HIV-1 (K103N+Y181C): 260 nM (EC50); HIV-1 (F227L+V106A): 27530 nM (EC50)
[References]

[1] Zhao LM, et al. Discovery of novel biphenyl-substituted pyridone derivatives as potent non-nucleoside reverse transcriptase inhibitors with promising oral bioavailability. Eur J Med Chem. 2022 Jun 30;240:114581. DOI:10.1016/j.ejmech.2022.114581
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