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Chemical structure of Lu AA 47070

GC17499

Lu AA 47070

Also known as [2-[4-(3,3-dimethylbutanoylamino)-3,5-difluorobenzoyl]imino-1,3-thiazol-3-yl]methyl dihydrogen phosphate

adenosine A2A receptor antagonist

ChemicalCAS913842-25-8MW463.39FormulaC17H20F2N3O6PS
CAS number
913842-25-8
Molecular weight
463.39
Formula
C17H20F2N3O6PS
Solubility
＜46·34mg/ml in DMSO
InChIKey
MSWIQSFUBYCFJE-UHFFFAOYSA-N
Catalogue number
GC17499
Brand
GLPBIO
Computed properties PubChem CID 11947802 · XLogP 1.5 · TPSA 154 Ų · H-bond donors 3
XLogP
1.5
TPSA
154 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
30

SMILES CC(C)(C)CC(=O)NC1=C(C=C(C=C1F)C(=O)N=C2N(C=CS2)COP(=O)(O)O)F

Computed descriptors from PubChem (CID 11947802), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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