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Chemical structure of Atuliflapon

GC62422

Atuliflapon

Also known as trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide

Atuliflapon (AZD5718) is an orally active inhibitor of FLAP (5?Lipoxygenase activating protein), with an IC50 of 2 nM

ChemicalCAS2041075-86-7MW446.5FormulaC24H26N6O3
CAS number
2041075-86-7
Molecular weight
446.5
Formula
C24H26N6O3
Solubility
DMSO ： 125 mg/mL (279·96 mM; Need ultrasonic)
InChIKey
ROTWSDMXHVGAHZ-QZTJIDSGSA-N
Catalogue number
GC62422
Brand
GLPBIO
Computed properties PubChem CID 122678117 · XLogP 2.5 · TPSA 122 Ų · H-bond donors 3
XLogP
2.5
TPSA
122 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33

SMILES CC1=CC(=NN1)C2=CC=C(C=C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4=C5C(=O)NCCN5N=C4

Computed descriptors from PubChem (CID 122678117), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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