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RIP2 kinase inhibitor 2

CAT: 0931-T16753-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16753-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1581270-11-2
Target
Others, RIP kinase
Related Pathways
Apoptosis, NF-κB, Others
Bioactivity
RIP2 kinase inhibitor 2 is a compound that inhibits receptor-interacting protein-2 kinase (RIP2) .
Smiles
COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
Molecular Formula
C21H28N4O4S
Molecular Weight
432.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RIP2 kinase inhibitor 2
CAS Number1581270-11-2
PubChem CID73426595
IUPAC Name6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-(2-methoxyethoxy)quinolin-4-amine
Molecular FormulaC21H28N4O4S
Molecular Weight432.5
XLogP3.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity663
SMILES
CC1=C(NN=C1NC2=C3C=C(C(=CC3=NC=C2)OCCOC)S(=O)(=O)C(C)(C)C)C
InChI
InChI=1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25)
InChIKey
QODPGRHWJBWTJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RIP2 kinase inhibitor 2
CAS: 1581270-11-2
CID: 73426595
Formula: C21H28N4O4S
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass432.18312656
Monoisotopic Mass432.18312656
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity663
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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GNC27011-01RIP2 kinase inhibitor 2
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A16312-100RIP2 kinase inhibitor 1 100mg
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A16313-50RIP2 kinase inhibitor 2 50mg

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