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Chemical structure of Nav1·7-IN-2

GC31002

Nav1·7-IN-2

Also known as 3-[[4-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-N-methylbenzamide

Nav1·7-IN-2 is an inhibitor of voltage-gated sodium channels (Nav), in particular Nav 1·7, with IC50 of 80 nM

ChemicalCAS1332295-35-8MW407.44FormulaC22H22FN5O2
CAS number
1332295-35-8
Molecular weight
407.44
Formula
C22H22FN5O2
Solubility
DMSO : 50 mg/mL (122·72 mM; Need ultrasonic)
InChIKey
MFAKJGXMORSMIX-UHFFFAOYSA-N
Catalogue number
GC31002
Brand
GLPBIO
Computed properties PubChem CID 53348208 · XLogP 3.8 · TPSA 79.4 Ų · H-bond donors 2
XLogP
3.8
TPSA
79.4 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

SMILES CC1=C(C=CC(=C1)F)OC2CN(C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)NC

Computed descriptors from PubChem (CID 53348208), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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