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Chemical structure of UPF-648 sodium salt

GC31067

UPF-648 sodium salt

Also known as sodium trans-(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylate

UPF-648 sodium salt is a potent kynurenine 3-monooxygenase (KMO) inhibitor; exhibits highly active at 1 uM (81 ± 10% KMO inhibition); ineffective at blocking KAT activity

ChemicalCAS1465017-87-1MW281.07FormulaC11H7Cl2NaO3
CAS number
1465017-87-1
Molecular weight
281.07
Formula
C11H7Cl2NaO3
Solubility
Soluble in DMSO
InChIKey
DBXRQPXNFMACQA-LEUCUCNGSA-M
Catalogue number
GC31067
Brand
GLPBIO
Computed properties PubChem CID 92044390 · TPSA 57.2 Ų · H-bond donors 0 · H-bond acceptors 3
TPSA
57.2 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

SMILES C1[C@@H]([C@H]1C(=O)[O-])C(=O)C2=CC(=C(C=C2)Cl)Cl.[Na+]

Computed descriptors from PubChem (CID 92044390), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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