For research use only. Not for therapeutic Use.
ALDH1A2-IN-1 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.91 μM; Kd=0.26 μM) with several hydrophobic interactions[1].
| Catalog Number | I044456 |
| CAS Number | 2204229-64-9 |
| Synonyms | (3-ethoxythiophen-2-yl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone |
| Molecular Formula | C21H26N4O4S |
| Purity | ≥95% |
| InChI | InChI=1S/C21H26N4O4S/c1-2-29-19-7-14-30-20(19)21(26)24-12-10-22(11-13-24)16-5-6-17(25(27)28)18(15-16)23-8-3-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3 |
| InChIKey | LAYJOGOQGVGOCO-UHFFFAOYSA-N |
| SMILES | CCOC1=C(SC=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4 |
| Reference | [1]. Chen Y, et al. Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors. ACS Chem Biol. 2018;13(3):582-590. |
