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2088113-98-6

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2088113-98-6 Structure

2088113-98-6 Structure
IdentificationBack Directory
[Name]

4-((S)-1-(tetrahydro-2H-pyran-4-yl)ethylamino)-6-(6-(methoxymethyl)pyridin-3-yl)quinoline-3-carboxamide
[CAS]

2088113-98-6
[Synonyms]

AZ-31
CS-2888
AZ-31;AZ 31
AZ31;AZ-31;AZ 31
4-((S)-1-(tetrahydro-2H-pyran-4-yl)ethylamino)-6-(6-(methoxymethyl)pyridin-3-yl)quinoline-3-carboxamide
(S)-6-(6-(methoxymethyl)pyridin-3-yl)-4-((1-(tetrahydro-2H-pyran-4-yl)ethyl)amino)quinoline-3-carboxamide
6-[6-(Methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl]amino]-3-quinolinecarboxamide
3-Quinolinecarboxamide, 6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl]amino]-
[Molecular Formula]

C24H28N4O3
[MDL Number]

MFCD31922712
[MOL File]

2088113-98-6.mol
[Molecular Weight]

420.5
Chemical PropertiesBack Directory
[Boiling point ]

629.8±55.0 °C(Predicted)
[density ]

1.234±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

15.36±0.30(Predicted)
[color ]

Off-white to light yellow
Hazard InformationBack Directory
[Uses]

AZ31 is a a potent, highly selective, and orally active ATM inhibitor with an IC50 of <1.2 nM for ATM enzyme, and an IC50 of 46 nM for ATM in cell. AZ31 shows excellent selectivity over ATR (>500-fold) and excellent PIKK-family selectivity and pan-kinase selectivity. AZ31 is a potent radiosensitizer in vitro, it can be used for the research of cancer[1].
[in vivo]

AZ31 (50-100 mg/kg; p.o. twice a day) shows low brain coverage[1].

Animal Model:Nude mice[1]
Dosage:50 and 100 mg/kg
Administration:Oral gavage; 50 and 100 mg/kg twice a day
Result:Exhibited exposure over IC50 at 0.046 μM in brain only for 2-3 hours.
[IC 50]

ATM: 1.2 nM (IC50); ATM: 46 nM (IC50, in cell)
[References]

[1] Karlin J, et al. Orally Bioavailable and Blood-Brain Barrier-Penetrating ATM Inhibitor (AZ32) Radiosensitizes Intracranial Gliomas in Mice. Mol Cancer Ther. 2018 Aug;17(8):1637-1647. DOI:10.1158/1535-7163.MCT-17-0975
Spectrum DetailBack Directory
[Spectrum Detail]

4-((S)-1-(tetrahydro-2H-pyran-4-yl)ethylamino)-6-(6-(methoxymethyl)pyridin-3-yl)quinoline-3-carboxamide(2088113-98-6)1HNMR
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