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ATM Inhibitor-10

CAT: 0804-HY-118911-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118911-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ATM Inhibitor-10 (compound 74), a 3-quinoline carboxamide, is a highly selective and orally active ATM inhibitor (IC50: 0.6 nM) . ATM Inhibitor-10 has anti-tumor activity in SW620 xenograft models. ATM Inhibitor-10 is synergistic with Top I inhibitors[1].
CAS Number
1941214-06-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ATM/ATR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/atm-inhibitor-10.html
Purity
98.7
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(N[C@H](C2=NN(C)C=C2)C)C3=CC(C4=CC=C(COC)N=C4)=C(F)C=C3N=C1)N
Molecular Formula
C23H23FN6O2
Molecular Weight
434.47
Precautions
H302, H315, H319, H335
References & Citations
[1]Degorce SL, et al. Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective, and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase. J Med Chem. 2016 Jul 14;59 (13) :6281-92.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethyl]amino]-3-quinolinecarboxamide
CAS Number1941214-06-7
PubChem CID130470684
IUPAC Name7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]quinoline-3-carboxamide
Molecular FormulaC23H23FN6O2
Molecular Weight434.5
XLogP2.2
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity642
SMILES
C[C@@H](C1=NN(C=C1)C)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)COC)F)C(=O)N
InChI
InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1
InChIKey
XHNKFGYYGPLYPT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 7-Fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethyl]amino]-3-quinolinecarboxamide
CAS: 1941214-06-7
CID: 130470684
Formula: C23H23FN6O2
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass434.18665216
Monoisotopic Mass434.18665216
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity642
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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