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AZD1390

CAT: 0957-S8680-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S8680-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2089288-03-7
Target
ATM/ATR
Applications
PI3K/Akt/mTOR
Smiles
CC (C) N1C2=C (C=NC3=CC (=C (C=C32) C4=CN=C (C=C4) OCCCN5CCCCC5) F) N (C1=O) C
Molecular Formula
C27H32FN5O2
Additionnal Information
AZD1390 is a first-in-class orally available and CNS penetrant ATM inhibitor with an IC50 of 0.78 nM in cells and >10,000-fold selectivity over closely related members of the PIKK family of enzymes and excellent selectivity across a broad panel of kinases.
Storage Conditions
2 years -80 in solvent

Chemical Information

Azd-1390

ATM Kinase Inhibitor AZD1390 is an orally bioavailable inhibitor of ataxia telangiectasia mutated (ATM) kinase, with potential antineoplastic activity. Upon oral administration, AZD1390 targets and binds to ATM, thereby inhibiting the kinase activity of ATM and ATM-mediated signaling. This prevents DNA damage checkpoint activation, disrupts DNA damage repair, induces tumor cell apoptosis, and leads to cell death in ATM-overexpressing tumor cells. AZD1390 hypersensitizes tumors to chemo/radiotherapy. In addition, AZD1390 is able to cross the blood-brain barrier (BBB). ATM, a serine/threonine protein kinase belonging to the phosphatidylinositol 3-kinase-related kinase (PIKK) family of protein kinases, is upregulated in a variety of cancer cell types. It is activated in response to DNA double-strand breaks (DSB) and plays a key role in DNA repair.

CAS Number2089288-03-7
PubChem CID126689157
IUPAC Name7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
Molecular FormulaC27H32FN5O2
Molecular Weight477.6
XLogP4.2
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity720
SMILES
CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C
InChI
InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3
InChIKey
VQSZIPCGAGVRRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd-1390
CAS: 2089288-03-7
CID: 126689157
Formula: C27H32FN5O2
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass477.25400344
Monoisotopic Mass477.25400344
Topological Polar Surface Area61.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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