2789676-44-2
Chemical Structure
HIV-1 inhibitor-40
- CAS No.: 2789676-44-2
- Formula:C25H18N6O2
- Molecular Weight:434.45
IUPAC Name: 4'-((6-amino-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3'-methoxy-[1,1'-biphenyl]-4-carbonitrile
InChIKey: GHLSNPLVYIWBNS-UHFFFAOYSA-N
SMILES: NC1=NC(NC2=CC=C(C=C2)C#N)=NC(OC(C=CC(C3=CC=C(C=C3)C#N)=C4)=C4OC)=C1
Biological Activity: HIV-1 inhibitor-40 (Compound 4ab) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) of HIV-1 with an EC50 of 1.9 nM. HIV-1 inhibitor-40 displays weak CYP sensitivity with IC50 values of 5.16 μM and 4.51 μM against CYP2C9 and CYP2C19, respectively. HIV-1 inhibitor-40 has no apparent in vivo acute toxicity[1].
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HIV-1 inhibitor-40 | HIV-1 inhibitor-40 (Compound 4ab) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) of HIV-1 with an EC50 of 1.9 nM. HIV-1 inhibitor-40 displays weak CYP sensitivity with IC50 values of 5.16 μM and 4.51 μM against CYP2C9 and CYP2C19, respectively. HIV-1 inhibitor-40 has no apparent in vivo acute toxicity. | |||||||||||||||||||||
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- [1]. Jin X, et al. Structure-Based Discovery of Novel NH2-Biphenyl-Diarylpyrimidines as Potent Non-Nucleoside Reverse Transcriptase Inhibitors with Significantly Improved Safety: From NH2-Naphthyl-Diarylpyrimidine to NH2-Biphenyl-Diarylpyrimidine. J Med Chem. 2022 Jun 23;65(12):8478-8492. [Content Brief]
Keywords
