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CRBN ligand-679

CAT: 0804-HY-W998254Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-679 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-679 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2407829-76-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C4C(Br)=CC=C(C2=O)C43)CC1
Molecular Formula
C17H11BrN2O4
Molecular Weight
387.19
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

6-bromo-2-(2,6-dioxopiperidin-3-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS Number2407829-76-7
PubChem CID153385116
IUPAC Name6-bromo-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
Molecular FormulaC17H11BrN2O4
Molecular Weight387.2
XLogP2.1
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity622
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O
InChI
InChI=1S/C17H11BrN2O4/c18-11-5-4-10-14-8(11)2-1-3-9(14)16(23)20(17(10)24)12-6-7-13(21)19-15(12)22/h1-5,12H,6-7H2,(H,19,21,22)
InChIKey
IJUYUNFLVOMPIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-bromo-2-(2,6-dioxopiperidin-3-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS: 2407829-76-7
CID: 153385116
Formula: C17H11BrN2O4
MW: 387.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.2
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass385.99022
Monoisotopic Mass385.99022
Topological Polar Surface Area83.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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