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NSC682769

CAT: 0804-HY-168017Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-168017Size:1 Each
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Description
NSC682769 is a PROTAC target protein ligand (Ligands for Target Protein for PROTACs). NSC682769 can be used for synthesis PROTAC YAP degrader-1.
CAS Number
205048-79-9
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nsc682769.html
Smiles
O=C1NC2=CC=CC=C2C3=NC(C4=CC=CC=C4)=CC(C(C=C5OC)=CC=C5OC)=C3C1
Molecular Formula
C27H22N2O3
Molecular Weight
422.48
References & Citations
[1]Zhou C, et al. Exploring Degradation of Intrinsically Disordered Protein Yes-Associated Protein Induced by Proteolysis TArgeting Chimeras. J Med Chem. 2024 Sep 12;67 (17) :15168-15198.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(3,4-Dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
CAS Number205048-79-9
PubChem CID388201
IUPAC Name4-(3,4-dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
Molecular FormulaC27H22N2O3
Molecular Weight422.5
XLogP4.6
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
COC1=C(C=C(C=C1)C2=CC(=NC3=C2CC(=O)NC4=CC=CC=C43)C5=CC=CC=C5)OC
InChI
InChI=1S/C27H22N2O3/c1-31-24-13-12-18(14-25(24)32-2)20-15-23(17-8-4-3-5-9-17)29-27-19-10-6-7-11-22(19)28-26(30)16-21(20)27/h3-15H,16H2,1-2H3,(H,28,30)
InChIKey
SGZJSYXKEGHHMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,4-Dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
CAS: 205048-79-9
CID: 388201
Formula: C27H22N2O3
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass422.16304257
Monoisotopic Mass422.16304257
Topological Polar Surface Area60.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
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

Alternative Products

CatalogName
T89946-01NSC682769
T89991-01Demethyl-NSC682769

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