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Chemical structure of R406

GC16796

R406

Also known as benzenesulfonic acid;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

SYK inhibitor,potent and ATP-competitive

ChemicalCAS841290-81-1MW628.63FormulaC22H23FN6O5·C6H6O3S
CAS number
841290-81-1
Molecular weight
628.63
Formula
C22H23FN6O5·C6H6O3S
Solubility
≥ 31·45mg/mL in DMSO
InChIKey
UXDRJPYSTZHIOE-UHFFFAOYSA-N
Catalogue number
GC16796
Brand
GLPBIO
Computed properties PubChem CID 11984591 · TPSA 192 Ų · H-bond donors 4 · H-bond acceptors 14
TPSA
192 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
8
Heavy atoms
44

SMILES CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)O

Computed descriptors from PubChem (CID 11984591), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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