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GSK-345931A

CAT: 0931-T27474-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27474-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
869499-38-7
Target
RIP kinase
Related Pathways
Apoptosis, NF-κB
Bioactivity
GSK-345931A (compound 3) is a potent and orally active RIP2 (receptor interacting protein 2) inhibitor that suppresses production of multiple pro-inflammatory cytokines, suitable for studying autoimmune diseases.
Smiles
O=C(C1=CC=CC(C2=C(C3=C(OCC(C)C)C=CC(Cl)=C3)C=CC=C2)=N1)[O-].[Na+]
Molecular Formula
C22H19ClNNaO3
Molecular Weight
403.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Pyridinecarboxylic acid, 6-(5'-chloro-2'-(2-methylpropoxy)(1,1'-biphenyl)-2-yl)-, sodium salt
CAS Number869499-38-7
PubChem CID23686961
IUPAC Namesodium 6-[2-[5-chloro-2-(2-methylpropoxy)phenyl]phenyl]pyridine-2-carboxylate
Molecular FormulaC22H19ClNNaO3
Molecular Weight403.8
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity492
SMILES
CC(C)COC1=C(C=C(C=C1)Cl)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]
InChI
InChI=1S/C22H20ClNO3.Na/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26;/h3-12,14H,13H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKey
HCPQFFJXXAUWBN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Pyridinecarboxylic acid, 6-(5'-chloro-2'-(2-methylpropoxy)(1,1'-biphenyl)-2-yl)-, sodium salt
CAS: 869499-38-7
CID: 23686961
Formula: C22H19ClNNaO3
MW: 403.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass403.0951154
Monoisotopic Mass403.0951154
Topological Polar Surface Area62.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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