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Chemical structure of KL-11743

GC64014

KL-11743

Also known as 2-[3-[6-ethoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide

KL-11743 is a potent, orally active, and glucose-competitive inhibitor of the class I glucose transporters, with IC50s of 115, 137, 90, and 68 nM for GLUT1, GLUT2, GLUT3, and GLUT4, respectively

ChemicalCAS1369452-53-8MW522.6FormulaC30H30N6O3
CAS number
1369452-53-8
Molecular weight
522.6
Formula
C30H30N6O3
Solubility
DMSO : 25 mg/mL (47·84 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XKOYTLRGOQTKAU-UHFFFAOYSA-N
Catalogue number
GC64014
Brand
GLPBIO
Computed properties PubChem CID 146345838 · XLogP 5.5 · TPSA 114 Ų · H-bond donors 3
XLogP
5.5
TPSA
114 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
39

SMILES CCOC1=CC2=C(C=C1)N=C(N=C2NC3=CC=C(C=C3)C4=CNN=C4)C5=CC(=CC=C5)OCC(=O)NC(C)C

Computed descriptors from PubChem (CID 146345838), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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