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WSD0628

CAT: 0013-GTR19234735-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234735-01Size:50 mg
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Description
WSD0628 is a potent and brain-penetrant small molecule inhibitor of ATM kinase. It acts as a radiosensitizer, enhancing the effects of radiation in research models, and is utilized in studies investigating DNA damage response in oncology, including in vitro and in vivo experiments.
CAS Number
2765448-96-0
Field of Research
Molecular Biology, Signal Transduction
Smiles
O=C1N (C=2C=3C (N=CC2N1C) =CC=C (C3) C=4C=CC (OC) =NC4) [C@H]5C (F) (F) CN (C) CC5
Molecular Formula
C23H23F2N5O2
Molecular Weight
439.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ktc2hlr3RE

ATM Kinase Inhibitor WSD-0628 is an orally bioavailable, brain-penetrable inhibitor of ataxia telangiectasia mutated (ATM) kinase, with potential chemo-and radio-sensitizing and antineoplastic activities. Upon oral administration, ATM kinase inhibitor WSD-0628 selectively 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 apoptosis in damaged tumor cells, and leads to cell death in ATM-overexpressing tumor cells. WSD-0628 hypersensitizes tumors to chemo/radiotherapy. In addition, WSD-0628 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 Number2765448-96-0
PubChem CID167528083
IUPAC Name1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
Molecular FormulaC23H23F2N5O2
Molecular Weight439.5
XLogP3
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity712
SMILES
CN1CC[C@H](C(C1)(F)F)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CN=C(C=C5)OC
InChI
InChI=1S/C23H23F2N5O2/c1-28-9-8-19(23(24,25)13-28)30-21-16-10-14(15-5-7-20(32-3)27-11-15)4-6-17(16)26-12-18(21)29(2)22(30)31/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1
InChIKey
BUEJZHFNXQJGJW-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Ktc2hlr3RE
CAS: 2765448-96-0
CID: 167528083
Formula: C23H23F2N5O2
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass439.18198132
Monoisotopic Mass439.18198132
Topological Polar Surface Area61.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity712
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

Alternative Products

CatalogName
T87636-01WSD0628
HY-162002A-01(S) -WSD0628

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