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Chemical structure of RIP2 kinase inhibitor 2

GC32860

RIP2 kinase inhibitor 2

Also known as 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-(2-methoxyethoxy)quinolin-4-amine

RIP2 kinase inhibitor 2 is a receptor interacting protein-2 (RIP2) kinase inhibitor extracted from patent WO/2014043437 A1, compound example 9

ChemicalCAS1581270-11-2MW432.54FormulaC21H28N4O4S
CAS number
1581270-11-2
Molecular weight
432.54
Formula
C21H28N4O4S
Solubility
DMSO ： 5 mg/mL (11·56 mM)
InChIKey
QODPGRHWJBWTJC-UHFFFAOYSA-N
Catalogue number
GC32860
Brand
GLPBIO
Computed properties PubChem CID 73426595 · XLogP 3.2 · TPSA 115 Ų · H-bond donors 2
XLogP
3.2
TPSA
115 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30

SMILES CC1=C(NN=C1NC2=C3C=C(C(=CC3=NC=C2)OCCOC)S(=O)(=O)C(C)(C)C)C

Computed descriptors from PubChem (CID 73426595), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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