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CRBN ligand-879

CAT: 0804-HY-W999739Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-879 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-879 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925101-51-3
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(N2N=C3C=C(Br)C=CN3C2=O)CC1
Molecular Formula
C11H9BrN4O3
Molecular Weight
325.12
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-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CAS Number2925101-51-3
PubChem CID142596935
IUPAC Name3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12
XLogP-0.1
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity580
SMILES
C1CC(=O)NC(=O)C1N2C(=O)N3C=CC(=CC3=N2)Br
InChI
InChI=1S/C11H9BrN4O3/c12-6-3-4-15-8(5-6)14-16(11(15)19)7-1-2-9(17)13-10(7)18/h3-5,7H,1-2H2,(H,13,17,18)
InChIKey
YZEKNZCKZORYJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{7-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CAS: 2925101-51-3
CID: 142596935
Formula: C11H9BrN4O3
MW: 325.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight325.12
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass323.98580
Monoisotopic Mass323.98580
Topological Polar Surface Area82.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity580
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