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CRBN ligand-200

CAT: 0804-HY-W797335Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-200 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-200 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
1135008-81-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1C=2C=CC(Br)=CC2N=C(N1C3C(=O)NC(=O)CC3)C
Molecular Formula
C14H12BrN3O3
Molecular Weight
350.17
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

3-(7-Bromo-2-methyl-4-oxo-quinazolin-3-YL)piperidine-2,6-dione
CAS Number1135008-81-9
PubChem CID25235220
IUPAC Name3-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17
XLogP0.8
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity534
SMILES
CC1=NC2=C(C=CC(=C2)Br)C(=O)N1C3CCC(=O)NC3=O
InChI
InChI=1S/C14H12BrN3O3/c1-7-16-10-6-8(15)2-3-9(10)14(21)18(7)11-4-5-12(19)17-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,17,19,20)
InChIKey
KMVPTGAJQSRRMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(7-Bromo-2-methyl-4-oxo-quinazolin-3-YL)piperidine-2,6-dione
CAS: 1135008-81-9
CID: 25235220
Formula: C14H12BrN3O3
MW: 350.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.17
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass349.00620
Monoisotopic Mass349.00620
Topological Polar Surface Area78.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity534
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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