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Debio-0123

CAT: 0013-GTR19184002-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184002-02Size:5 mg
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Description
Debio-0123
CAS Number
2243882-74-6
Product Name Alternative
Debio-0123, Wee1, WEE1-IN-5
Field of Research
Cell Biology
Purity
99.52% (May vary between batches)
Solubility
DMSO:18 mg/mL (35.19 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.96 mM)
Smiles
CN1CCC (CC1) c1ccc (Nc2ncc3C (=O) N (CN (C) c3n2) c2c (Cl) cccc2Cl) cc1C
Molecular Formula
C26H28Cl2N6O
Molecular Weight
511.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zedoresertib

Zedoresertib is an orally bioavailable inhibitor of the human tyrosine kinase Wee1 (Wee1-like protein kinase; Wee1A kinase; WEE1hu), with potential antineoplastic sensitizing activity. Upon oral administration, zedoresertib targets, binds to and inhibits Wee1. Inhibition of Wee1 inhibits Cdk1 (Cdc2) phosphorylation, promotes both premature mitosis and a prolonged mitotic arrest, which results in the accumulation of unrepaired DNA damage. This leads to apoptosis in susceptible tumor cells, such as p53-deficient or mutated human cancers that lack the G1 checkpoint, especially in combination with DNA-damaging chemotherapeutic agents. Unlike normal cells, most p53-deficient or mutated human cancers lack the G1 checkpoint as p53 is the key regulator of the G1 checkpoint and these cells rely on the G2 checkpoint for DNA repair to damaged cells. Annulment of the G2 checkpoint may therefore make p53-deficient tumor cells more vulnerable to antineoplastic agents and enhance their cytotoxic effect. Overexpression of Wee1 occurs in several cancer types and high expression of Wee1 is associated with poor outcomes. Wee1 phosphorylates Cdc2 in the Cdc2/cyclin B (CDK1/cyclin B) complex which blocks progression from G2 into mitosis. The Wee1 tyrosine kinase is activated upon DNA damage and regulates the G2-M and S cell cycle checkpoints.

CAS Number2243882-74-6
PubChem CID152206257
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrimido[4,5-d]pyrimidin-5-one
Molecular FormulaC26H28Cl2N6O
Molecular Weight511.4
XLogP5.6
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity727
SMILES
CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N(CN(C3=O)C4=C(C=CC=C4Cl)Cl)C)C5CCN(CC5)C
InChI
InChI=1S/C26H28Cl2N6O/c1-16-13-18(7-8-19(16)17-9-11-32(2)12-10-17)30-26-29-14-20-24(31-26)33(3)15-34(25(20)35)23-21(27)5-4-6-22(23)28/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,29,30,31)
InChIKey
VWHNEYAANMETIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zedoresertib
CAS: 2243882-74-6
CID: 152206257
Formula: C26H28Cl2N6O
MW: 511.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass510.1701649
Monoisotopic Mass510.1701649
Topological Polar Surface Area64.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity727
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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