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Chemical structure of 1G244

GC39296

1G244

Also known as (2S)-2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione

1G244 is a potent DPP8/9 inhibitor with IC50s of 12 nM and 84 nM, respectively· 1G244 does not inhibit DPPIV and DPPII· 1G244 induces apoptosis in multiple myeloma cells and has anti-myeloma effects

ChemicalCAS847928-32-9MW504.57FormulaC29H30F2N4O2
CAS number
847928-32-9
Molecular weight
504.57
Formula
C29H30F2N4O2
Solubility
DMSO： 250 mg/mL (495·47 mM)
InChIKey
ZKIQFLSGMMYCGS-SANMLTNESA-N
Catalogue number
GC39296
Brand
GLPBIO
Computed properties PubChem CID 56658139 · XLogP 2.5 · TPSA 69.9 Ų · H-bond donors 1
XLogP
2.5
TPSA
69.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37

SMILES C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C[C@@H](C(=O)N4CC5=CC=CC=C5C4)N

Computed descriptors from PubChem (CID 56658139), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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