For research use only. Not for therapeutic Use.
BoNT-IN-2 (Compound 33) is a Botulinum Neurotoxin A Light Chain (BoNT/A LC) inhibitor with an IC50 of 4.5 μM[1].
Catalog Number | I023615 |
CAS Number | 354784-03-5 |
Synonyms | 7-[[4-(dimethylamino)phenyl]-[(6-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol |
Molecular Formula | C25H26N4O |
Purity | ≥95% |
InChI | InChI=1S/C25H26N4O/c1-16-6-5-7-22(26-16)28-23(18-10-13-20(14-11-18)29(3)4)21-15-12-19-9-8-17(2)27-24(19)25(21)30/h5-15,23,30H,1-4H3,(H,26,28) |
InChIKey | HOCWFUDKLDDDRQ-UHFFFAOYSA-N |
SMILES | CC1=NC(=CC=C1)NC(C2=CC=C(C=C2)N(C)C)C3=C(C4=C(C=CC(=N4)C)C=C3)O |
Reference | [1]. Caglič D, et al. Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain. J Med Chem. 2014 Feb 13;57(3):669-76. |