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GDC-2394

CAT: 0013-GTR19210271-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210271-01Size:25 mg
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Description
GDC-2394 is a potent and selective orally bioavailable NLRP3 inflammasome inhibitor that also directly suppresses IL-1β. It demonstrates species-specific IC50 values of 0.4 μM (human) and 0.1 μM (mouse) for IL-1β and selectively blocks NLRP3-mediated caspase-1 activation without affecting NLRC4. This profile makes it a valuable tool for investigating NLRP3-driven pathologies in both cellular and animal models of inflammatory and autoimmune diseases.
CAS Number
2238822-07-4
Field of Research
Cell Biology, Immunology & Inflammation, Protein Biochemistry
Smiles
N (C (NS (=O) (=O) C1=C2N (N=C1) C[C@H] (NC) CO2) =O) C3=C4C (=CC5=C3CCC5) CCC4
Molecular Formula
C20H25N5O4S
Molecular Weight
431.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 135242204
CAS Number2238822-07-4
PubChem CID135242204
IUPAC Name1-(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
Molecular FormulaC20H25N5O4S
Molecular Weight431.5
XLogP2.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity739
SMILES
CN[C@H]1CN2C(=C(C=N2)S(=O)(=O)NC(=O)NC3=C4CCCC4=CC5=C3CCC5)OC1
InChI
InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1
InChIKey
NDRARVKETDZHBS-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of CID 135242204
CAS: 2238822-07-4
CID: 135242204
Formula: C20H25N5O4S
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass431.16272547
Monoisotopic Mass431.16272547
Topological Polar Surface Area123 Ų
Heavy Atom Count30
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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