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Chemical structure of AKE-72

GC73739

AKE-72

Also known as 3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

AKE-72 (compound 5) is a potent inhibitor of Pan-BCR-ABL

ChemicalCAS2566525-18-4MW546.59FormulaC30H29F3N6O
CAS number
2566525-18-4
Molecular weight
546.59
Formula
C30H29F3N6O
Solubility
DMSO ： 100 mg/mL (182·95 mM; Need ultrasonic)
InChIKey
XAXJKDYUXBSJJT-UHFFFAOYSA-N
Catalogue number
GC73739
Brand
GLPBIO
Computed properties PubChem CID 155386679 · XLogP 5 · TPSA 90.3 Ų · H-bond donors 3
XLogP
5
TPSA
90.3 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40

SMILES CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F

Computed descriptors from PubChem (CID 155386679), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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