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Chemical structure of RIP2 kinase inhibitor 1

GC32775

RIP2 kinase inhibitor 1

Also known as 2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethanol

RIP2 kinase inhibitor 1 is an active metabolite of GSK2983559· RIP2 kinase inhibitor 1 is a receptor interacting protein-2 (RIP2) kinase inhibitor extracted from patent WO/2014043446 A1, compound example 1

ChemicalCAS1423186-80-4MW458.55FormulaC21H22N4O4S2
CAS number
1423186-80-4
Molecular weight
458.55
Formula
C21H22N4O4S2
Solubility
DMSO ： ≥ 32 mg/mL (69·79 mM)
InChIKey
UHDOJINBFLDQJM-UHFFFAOYSA-N
Catalogue number
GC32775
Brand
GLPBIO
Computed properties PubChem CID 71258526 · XLogP 3.4 · TPSA 151 Ų · H-bond donors 2
XLogP
3.4
TPSA
151 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31

SMILES CC(C)(C)S(=O)(=O)C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)SC=N4)OCCO

Computed descriptors from PubChem (CID 71258526), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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