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CRBN ligand-706

CAT: 0013-GTR19275868-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275868-01Size:50 mg
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Description
CRBN ligand-706 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon proteins. Through a linker, CRBN ligand-706 can be attached to a target protein ligand to form a PROTAC.
CAS Number
2925103-45-1
Smiles
O=C1NC (=O) C (N2N=C3C=CC (Br) =CN3C2=O) CC1
Molecular Formula
C11H9BrN4O3
Molecular Weight
325.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{6-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CAS Number2925103-45-1
PubChem CID142597127
IUPAC Name3-(6-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=C(C=CC3=N2)Br
InChI
InChI=1S/C11H9BrN4O3/c12-6-1-3-8-14-16(11(19)15(8)5-6)7-2-4-9(17)13-10(7)18/h1,3,5,7H,2,4H2,(H,13,17,18)
InChIKey
UNIQKLIVVOSPDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{6-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CAS: 2925103-45-1
CID: 142597127
Formula: C11H9BrN4O3
MW: 325.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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