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Chemical structure of ATR-IN-4

GC68707

ATR-IN-4

Also known as (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine

ATR-IN-4 is an effective ATR inhibitor· ATR-IN-4 inhibits the growth of human prostate cancer cells DU145 and human lung cancer cells NCI-H460, with IC50 values of 130·9 nM and 41·33 nM, respectively (excerpted from patent CN112142744A, compound 13)

ChemicalCAS2574545-45-0MW364.4FormulaC18H20N8O
CAS number
2574545-45-0
Molecular weight
364.4
Formula
C18H20N8O
Solubility
DMSO ： 25 mg/mL (68·61 mM; Need ultrasonic)
InChIKey
BUTVLOCHWATRAS-GFCCVEGCSA-N
Catalogue number
GC68707
Brand
GLPBIO
Computed properties PubChem CID 155438987 · XLogP 0.9 · TPSA 89.2 Ų · H-bond donors 1
XLogP
0.9
TPSA
89.2 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27

SMILES C[C@@H]1COCCN1C2=NN3C(=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C

Computed descriptors from PubChem (CID 155438987), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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