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AZ31

CAT: 0957-S8556-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8556-5mgSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088113-98-6
Target
ATM/ATR
Applications
PI3K/Akt/mTOR
Smiles
CC (C1CCOCC1) NC2=C3C=C (C=CC3=NC=C2C (=O) N) C4=CN=C (C=C4) COC
Molecular Formula
C24H28N4O3
Additionnal Information
AZ31 is a selective and novel ATM inhibitor with an IC50 of <0.0012 μM. It shows excellent selectivity over closely related enzymes (>500 fold selective over DNA-PK and PI3Kα and >1000 fold selective over mTOR, PI3Kβ and PI3Kγ) .
Storage Conditions
3 years -20°C powder

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

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CatalogName
MBS132862AZ31
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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