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Chemical structure of IL-17A inhibitor 1

GC62659

IL-17A inhibitor 1

Also known as N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

IL-17A inhibitor 1 (example 24) is a IL-17A inhibitor, with IC50 values of <9·45 nM and 9·3 nM in alphalisa assay and HT-29 cells

ChemicalCAS2452464-73-0MW586.51FormulaC24H27F5N8O4
CAS number
2452464-73-0
Molecular weight
586.51
Formula
C24H27F5N8O4
Solubility
DMSO : 250 mg/mL (426·25 mM; Need ultrasonic)
InChIKey
MVWVCLAORBNXSD-UWVAXJGDSA-N
Catalogue number
GC62659
Brand
GLPBIO
Computed properties PubChem CID 154642729 · XLogP 1.8 · TPSA 140 Ų · H-bond donors 2
XLogP
1.8
TPSA
140 Ų
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
41

SMILES CC1=NON=C1C(=O)N[C@@H](C2CCC(CC2)(F)F)C3=CN4C(=N3)C=C(C=N4)[C@@H](COC)N5C[C@H](NC5=O)C(F)(F)F

Computed descriptors from PubChem (CID 154642729), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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