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Chemical structure of BoNT-IN-1

GC31061

BoNT-IN-1

Also known as 2-methyl-7-[[(4-methyl-2-pyridinyl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol

BoNT-IN-1 is a potent inhibitor of Botulinum neurotoxin A light chain (BoNTA LC) with IC50 of 0·9 uM

ChemicalCAS694443-03-3MW400.43FormulaC23H20N4O3
CAS number
694443-03-3
Molecular weight
400.43
Formula
C23H20N4O3
Solubility
DMSO ： 100 mg/mL (249·73 mM; Need ultrasonic)
InChIKey
VXPGAZJVEWWXED-UHFFFAOYSA-N
Catalogue number
GC31061
Brand
GLPBIO
Computed properties PubChem CID 2944140 · XLogP 4.9 · TPSA 104 Ų · H-bond donors 2
XLogP
4.9
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

SMILES CC1=CC(=NC=C1)NC(C2=C(C3=C(C=CC(=N3)C)C=C2)O)C4=CC=CC=C4[N+](=O)[O-]

Computed descriptors from PubChem (CID 2944140), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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