AZD1390

CAT: 1568-C13585-06Size: 1 gDry Ice: YesHazardous: No

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CAT#:1568-C13585-06Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2089288-03-7

SKU

C13585-2mg

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 Number	2089288-03-7
PubChem CID	126689157
IUPAC Name	7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
Molecular Formula	C27H32FN5O2
Molecular Weight	477.6
XLogP	4.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	720

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

CAS: 2089288-03-7

CID: 126689157

Formula: C27H32FN5O2

MW: 477.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	477.25400344
Monoisotopic Mass	477.25400344
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	720
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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