For research use only. Not for therapeutic Use.
NBD-14189 is a potent HIV-1 entry antagonist with an IC50 of 89 nM against the HIV-1HXB2 pseudovirus. NBD-14189 binds to HIV-1 gp120 and shows potent antiviral activity (EC50<200 nM)[1][2].
NBD-14189 has anti-HIV-1 activity (IC50=0.089 μM) and cytotoxicity (CC50=21.9 μM) in single-cycle (TZM-bl cells) assays. NBD-14189 has anti-HIV-1 activity (IC50=0.18 μM) and cytotoxicity (CC50=22.1 μM) in multi-cycle (MT-2 cells) assays[1].
NBD-14189 (0-50 μM) prevents HIV-1 mediated cell-cell fusion with an IC50 of 9.4 μM in indicator cells TZM-bl cells were cocultured with Env- and Tat-expressing HL2/3 cells[1].
NBD-14189 shows weak or no inhibition of the hERG current, with an IC50 of 3.0 μM, respectively[1].
| Catalog Number | I044092 |
| CAS Number | 2234273-72-2 |
| Synonyms | N-[(1S)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide |
| Molecular Formula | C18H16F4N4O2S |
| Purity | ≥95% |
| InChI | InChI=1S/C18H16F4N4O2S/c19-12-5-9(1-2-11(12)18(20,21)22)13-3-4-14(25-13)16(28)26-15(6-23)17-24-10(7-27)8-29-17/h1-5,8,15,25,27H,6-7,23H2,(H,26,28)/t15-/m0/s1 |
| InChIKey | ZKOITYDZLQYLNI-HNNXBMFYSA-N |
| SMILES | C1=CC(=C(C=C1C2=CC=C(N2)C(=O)NC(CN)C3=NC(=CS3)CO)F)C(F)(F)F |
| Reference | [1]. Francesca Curreli, et al. Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120. Eur J Med Chem. 2018 Jun 25;154:367-391. [2]. Natalie Losada, et al. HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J Med Chem. 2021 Nov 25;64(22):16530-16540. |
