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Chemical structure of KMH-233

GC61845

KMH-233

Also known as (2S)-2-amino-3-[3-[[2,4-dicyano-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pyrido[1,2-a]benzimidazol-1-yl]carbamoyl]phenyl]propanoic acid

KMH-233, a potent, reversible and selective l-type amino acid transporter 1 (LAT1) inhibitor, inhibits the uptake of LAT1 substrate, l-leucin (IC50=18 μM) as well as cell growth· KMH-233 significantly potentiates the efficacy of Bestatin and Cisplatin even at low concentrations (25 μM)

ChemicalCAS1941174-13-5MW587.58FormulaC32H25N7O5
CAS number
1941174-13-5
Molecular weight
587.58
Formula
C32H25N7O5
Solubility
DMSO : 100 mg/mL (170·19 mM)
InChIKey
MLNOOVGSMCJSCE-DEOSSOPVSA-N
Catalogue number
GC61845
Brand
GLPBIO
Computed properties PubChem CID 154730690 · XLogP 2 · TPSA 196 Ų · H-bond donors 4
XLogP
2
TPSA
196 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
44

SMILES CNC(=O)COC1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)NC(=O)C5=CC=CC(=C5)C[C@@H](C(=O)O)N)C#N

Computed descriptors from PubChem (CID 154730690), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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