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RIP2 Kinase Inhibitor 3

CAT: 0013-GTR19204943-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204943-01Size:2 mg
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Description
RIP2 Kinase Inhibitor 3 is a highly potent and selective small molecule targeting RIP2 kinase, exhibiting an IC50 of 1 nM. It serves as a valuable research tool for investigating the role of RIP2 in NOD1/2 signaling pathways, applicable in both cellular and in vivo models of inflammatory and autoimmune diseases.
CAS Number
1398053-50-3
Product Name Alternative
RIPkinase, RIP2, RIP2 Kinase Inhibitor 3, RIP-2 Kinase Inhibitor 3, RIP kinase
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.28% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.15 mM) ; DMSO:70 mg/mL (180.19 mM)
Smiles
COc1cc2nccc (Nc3n[nH]c (C) c3C) c2cc1S (=O) (=O) C (C) (C) C
Molecular Formula
C19H24N4O3S
Molecular Weight
388.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

RIP2 Kinase Inhibitor 3
CAS Number1398053-50-3
PubChem CID60194465
IUPAC Name6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-methoxyquinolin-4-amine
Molecular FormulaC19H24N4O3S
Molecular Weight388.5
XLogP3.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity615
SMILES
CC1=C(NN=C1NC2=C3C=C(C(=CC3=NC=C2)OC)S(=O)(=O)C(C)(C)C)C
InChI
InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)
InChIKey
LHPFRDAGGDMRMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RIP2 Kinase Inhibitor 3
CAS: 1398053-50-3
CID: 60194465
Formula: C19H24N4O3S
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass388.15691181
Monoisotopic Mass388.15691181
Topological Polar Surface Area105 Ų
Heavy Atom Count27
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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