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Chemical structure of NOD2 antagonist 1

GC65995

NOD2 antagonist 1

Also known as 2-[2-[2-(benzenesulfonamido)ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

NOD2 antagonist 1 (compound 32) is a potent and selective NOD2 antagonist with an IC50 of 5·23 μM· NOD2 antagonist 1 inhibits Muramyl dipeptide (MDP)-induced IL-8 secretion in THP-1 cells and inhibits MDP-induced IL-6, IL-10, TNF-α release in PBMCs

ChemicalCAS2411441-54-6MW474.57FormulaC26H26N4O3S
CAS number
2411441-54-6
Molecular weight
474.57
Formula
C26H26N4O3S
InChIKey
HJPTWQSPMIUUCE-UHFFFAOYSA-N
Catalogue number
GC65995
Brand
GLPBIO
Computed properties PubChem CID 162672282 · XLogP 4.2 · TPSA 101 Ų · H-bond donors 2
XLogP
4.2
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34

SMILES C1CC2=C(C1)C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=C3CCNS(=O)(=O)C5=CC=CC=C5

Computed descriptors from PubChem (CID 162672282), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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