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Chemical structure of BFF 122 - BF 5

GB40120

BFF 122 - BF 5

Also known as (2S)-6-(4-aminopiperazin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Potent and selective inhibitor of kynurenine aminotransferase II (IC50 values ca· 1 μM and >30 μM for KAT II and KAT I respectively)· Intrastriatal BFF 122 decreased newly formed KYNA by 66%, without influencing 3-HK or QUIN production in naÏve rats

ChemicalCAS1152314-49-2MW362.36FormulaC17H19FN4O4
CAS number
1152314-49-2
Molecular weight
362.36
Formula
C17H19FN4O4
InChIKey
ICQVSZFWVUBYSI-VIFPVBQESA-N
Catalogue number
GB40120
Brand
GLPBIO
Computed properties PubChem CID 46829291 · XLogP -1.1 · TPSA 99.3 Ų · H-bond donors 2
XLogP
-1.1
TPSA
99.3 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
26

SMILES C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)N)F)C(=O)O

Computed descriptors from PubChem (CID 46829291), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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