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CRBN ligand-382

CAT: 0804-HY-W952951Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-382 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-382 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925075-45-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)CCN1C=2C=CC=C3C(Br)=CN=CC32
Molecular Formula
C13H10BrN3O2
Molecular Weight
320.15
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

1-(4-Bromoisoquinolin-8-yl)-1,3-diazinane-2,4-dione
CAS Number2925075-45-0
PubChem CID169548856
IUPAC Name1-(4-bromoisoquinolin-8-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H10BrN3O2
Molecular Weight320.14
XLogP1.5
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity390
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C(C=NC=C32)Br
InChI
InChI=1S/C13H10BrN3O2/c14-10-7-15-6-9-8(10)2-1-3-11(9)17-5-4-12(18)16-13(17)19/h1-3,6-7H,4-5H2,(H,16,18,19)
InChIKey
XXXXHFBRSRYUSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromoisoquinolin-8-yl)-1,3-diazinane-2,4-dione
CAS: 2925075-45-0
CID: 169548856
Formula: C13H10BrN3O2
MW: 320.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.14
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.99564
Monoisotopic Mass318.99564
Topological Polar Surface Area62.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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