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Chemical structure of GDC-2394

GC69156

GDC-2394

Also known as 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea

GDC-2394 is an orally effective and selective NLRP3 inhibitor that also inhibits IL-1β, with IC50 values of 0·4 μM (human IL-1β) and 0·1 μM (mouse IL-1β)· GDC-2394 inhibits caspase-1 activity induced by NLRP3, but does not inhibit inflammasome activation dependent on NLRC4

ChemicalCAS2238822-07-4MW431.51FormulaC20H25N5O4S
CAS number
2238822-07-4
Molecular weight
431.51
Formula
C20H25N5O4S
Solubility
DMSO ： 50 mg/mL (115·87 mM; ultrasonic and warming and heat to 60°C)
InChIKey
NDRARVKETDZHBS-AWEZNQCLSA-N
Catalogue number
GC69156
Brand
GLPBIO
Computed properties PubChem CID 135242204 · XLogP 2.2 · TPSA 123 Ų · H-bond donors 3
XLogP
2.2
TPSA
123 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

SMILES CN[C@H]1CN2C(=C(C=N2)S(=O)(=O)NC(=O)NC3=C4CCCC4=CC5=C3CCC5)OC1

Computed descriptors from PubChem (CID 135242204), 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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Pricing
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Documents
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