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Chemical structure of ATH686

GC62499

ATH686

Also known as 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

ATH686 is a potent, selective and ATP-competitive FLT3 inhibitor· ATH686 target mutant FLT3 protein kinase activity and inhibit the proliferation of cells harboring FLT3 mutants via induction of apoptosis and cell cycle inhibition· ATH686 has antileukemic effects

ChemicalCAS853299-52-2MW515.53FormulaC25H28F3N7O2
CAS number
853299-52-2
Molecular weight
515.53
Formula
C25H28F3N7O2
Solubility
DMSO ： 250 mg/mL (484·94 mM; Need ultrasonic)
InChIKey
VQQRBBFRJRBWPF-UHFFFAOYSA-N
Catalogue number
GC62499
Brand
GLPBIO
Computed properties PubChem CID 11477833 · XLogP 3.2 · TPSA 109 Ų · H-bond donors 3
XLogP
3.2
TPSA
109 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
37

SMILES CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F

Computed descriptors from PubChem (CID 11477833), 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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