HIV-1-inhibitor-40

Category	Human immunodeficiency Virus (HIV)
Description	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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Synonyms	NNRTI 4ab\|NNRTI-4ab\|HIV-1 inhibitor-40\|GLXC-25838\|HY-147807\|4'-((6-Amino-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3'-methoxy-[1,1'-biphenyl]-4-carbonitrile
Molecular Weight	434.45
Molecular Formula	C25H18N6O2
Canonical SMILES	COC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)OC3=NC(=NC(=C3)N)NC4=CC=C(C=C4)C#N
Purity	≥98% (HPLC)
Solubility	10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	715
Exact Mass	434.14912384
In Vitro	HIV-1 inhibitor-40 (Compound 4ab) displays inhibitory activity with EC50 values of 0.019 ± 0.005, 0.004 ± 0.001, 0.029 ± 0.007, 0.570 ± 0.099 and 0.009 ± 0.006 μM against L100I, K103N, Y181C, Y188L and E138K HIV-1 mutant strains, respectively.
Target	HIV-1 (WT): 1.9 nM (EC50) HIV-1 (K103N): 0.004 μM (EC50) HIV-1 (E138K): 0.009 μM (EC50) HIV-1 (L100I)0: .019 μM (EC50) HIV-1 (Y181C): 0.029 μM (EC50) HIV-1 (Y188L): 0.570 μM (EC50) CYP2C19: 4.51 μM (IC50) CYP2C9: 5.16 μM (IC50)
XLogP3-AA	4.6