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CRBN ligand-203

CAT: 0804-HY-W1128973Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-203 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-203 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
3023408-98-9
UNSPSC
12352005
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1[C@@H](CCC(N1)=O)N2C3=CC=CC(C4CCC(CC4)=O)=C3OCC2
Molecular Formula
C19H22N2O4
Molecular Weight
342.39
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

(3R)-3-[8-(4-oxocyclohexyl)-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
CAS Number3023408-98-9
PubChem CID170437520
IUPAC Name(3R)-3-[8-(4-oxocyclohexyl)-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
Molecular FormulaC19H22N2O4
Molecular Weight342.4
XLogP1.2
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity554
SMILES
C1CC(=O)NC(=O)[C@@H]1N2CCOC3=C(C=CC=C32)C4CCC(=O)CC4
InChI
InChI=1S/C19H22N2O4/c22-13-6-4-12(5-7-13)14-2-1-3-15-18(14)25-11-10-21(15)16-8-9-17(23)20-19(16)24/h1-3,12,16H,4-11H2,(H,20,23,24)/t16-/m1/s1
InChIKey
NDQVUKGNPVSFFB-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of (3R)-3-[8-(4-oxocyclohexyl)-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
CAS: 3023408-98-9
CID: 170437520
Formula: C19H22N2O4
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass342.15795719
Monoisotopic Mass342.15795719
Topological Polar Surface Area75.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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