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(S) -WSD0628

CAT: 0804-HY-162002A-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162002A-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -WSD0628 (Compound 28) is the S-isomer of WSD0628. (S) -WSD0628 is the inhibitor for ATM that inhibits the phosphorylation of ATM in MCF-7 cell with IC50.
CAS Number
2765449-10-1
UNSPSC
12352005
Target
ATM/ATR
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Purity
99.84
Smiles
O=C(N1[C@@H]2C(F)(F)CN(C)CC2)N(C)C3=C1C4=CC(C5=CC=C(OC)N=C5)=CC=C4N=C3
Molecular Formula
C23H23F2N5O2
Molecular Weight
439.46
References & Citations
[1]Zhong W, Substituted 1- (3,3-difluoropiperidin-4-yl) -imidazo[4,5-c] quinolin-2-one compounds with blood-brain barrier penetrable capability. WO2022060377
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CAS Number2765449-10-1
PubChem CID167528128
IUPAC Name1-[(4S)-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-/m0/s1
InChIKey
BUEJZHFNXQJGJW-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CAS: 2765449-10-1
CID: 167528128
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

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