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AZ31

CAT: 0931-T19671-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T19671-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088113-98-6
Target
ATM/ATR
Related Pathways
PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair
Purity
0.981
Bioactivity
AZ31 is an ATM inhibitor with potency, high selectivity, and oral activity.AZ31 inhibits ATM enzymes, intracellular ATM, with IC50 values of <1.2 nM and 46 nM, respectively.AZ31 exhibits excellent ATR selectivity, PIKK family selectivity, and pan-kinase selectivity.AZ31 is a potent in vitro radiosensitizer that can be used for cancer research.
Smiles
N([C@@H](C)C1CCOCC1)C=2C3=C(N=CC2C(N)=O)C=CC(=C3)C=4C=CC(COC)=NC4
Molecular Formula
C24H28N4O3
Molecular Weight
420.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Quinolinecarboxamide, 6-(6-(methoxymethyl)-3-pyridinyl)-4-(((1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)amino)-
CAS Number2088113-98-6
PubChem CID134694318
IUPAC Name6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide
Molecular FormulaC24H28N4O3
Molecular Weight420.5
XLogP2.9
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity585
SMILES
C[C@@H](C1CCOCC1)NC2=C3C=C(C=CC3=NC=C2C(=O)N)C4=CN=C(C=C4)COC
InChI
InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1
InChIKey
DISRGUXSEDBDDN-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 3-Quinolinecarboxamide, 6-(6-(methoxymethyl)-3-pyridinyl)-4-(((1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)amino)-
CAS: 2088113-98-6
CID: 134694318
Formula: C24H28N4O3
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass420.21614077
Monoisotopic Mass420.21614077
Topological Polar Surface Area99.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T4443-01AZ32

Alternative Products

CatalogName
BA3716-10AZ31
A16813-50AZ31 50mg
A16813-2AZ31 2mg
A16813-25AZ31 25mg
A16813-10AZ31 10mg
A16813-5AZ31 5mg
A16813-10mM-DAZ31 10mM * 1mL in DMSO

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