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CRBN ligand-661

CAT: 0804-HY-W244823-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W244823-01Size:50 mg
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Description
CRBN ligand-661 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-661 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2154343-24-3
UNSPSC
12352005
Hazard Statement
H301, H311, H331
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.73
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC=C(Cl)N=C3C2)CC1
Molecular Formula
C12H10ClN3O3
Molecular Weight
279.68
Precautions
H301, H311, H331
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(2-chloro-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)piperidine-2,6-dione
CAS Number2154343-24-3
PubChem CID132117718
IUPAC Name3-(2-chloro-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68
XLogP0.1
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity442
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=N3)Cl
InChI
InChI=1S/C12H10ClN3O3/c13-9-3-1-6-7(14-9)5-16(12(6)19)8-2-4-10(17)15-11(8)18/h1,3,8H,2,4-5H2,(H,15,17,18)
InChIKey
DHBLCYUMZORRJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-chloro-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)piperidine-2,6-dione
CAS: 2154343-24-3
CID: 132117718
Formula: C12H10ClN3O3
MW: 279.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.68
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass279.0410689
Monoisotopic Mass279.0410689
Topological Polar Surface Area79.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity442
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