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HIV-1-inhibitor-13

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Category Human immunodeficiency Virus (HIV)
Description HIV-1 inhibitor-13 (compound 16c) is a orally active and potent HIV-1 non nucleoside reverse transcriptase inhibitor (NNRTI), with IC50 of 0.14 μM (HIV-1 RT). HIV-1 inhibitor-13 shows activity against a panel of HIV-1 resistant strains, with EC50 values of 2.85-18.0 nM.
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Product Information

Synonyms HIV-1 inhibitor-13|HY-144112|CS-0376554
Molecular Weight 524.61
Molecular Formula C30H32N6O3
Canonical SMILES CC1=CC(=CC(=C1OC2=NC(=NC3=C2COC3)NC4CCN(CC4)CC5=CC=C(C=C5)C(=O)N)C)C=CC#N
Purity ≥98% (HPLC)
Solubility 10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 878
Exact Mass 524.25358890
In Vivo HIV-1 inhibitor-13 (compound 16c) (SD rats; 2 mg/kg, IV; 10 mg/kg, PO; once) exhibits favorable pharmacokinetic profiles (F = 32.1% and T1/2 = 0.88 and 1.05 h, respectively).
HIV-1 inhibitor-13 (Kunming mice, 2000 mg/kg, PO, once) shows safety in Kunming mice (LD50 > 2000 mg/kg).
Target HIV-1 (WT): 2.85 ± 1.1 nM (EC50)
XLogP3-AA 3.5

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