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CRBN ligand-722

CAT: 0804-HY-W953474Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-722 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-722 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925094-84-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)CN1C(=O)C=2C(=CC=CC2C1)N3C(=O)NC(=O)CC3
Molecular Formula
C14H13N3O5
Molecular Weight
303.27
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

2-[7-(2,4-dioxo-1,3-diazinan-1-yl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]acetic acid
CAS Number2925094-84-2
PubChem CID169548805
IUPAC Name2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-oxo-1H-isoindol-2-yl]acetic acid
Molecular FormulaC14H13N3O5
Molecular Weight303.27
XLogP-0.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity535
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C2C(=O)N(C3)CC(=O)O
InChI
InChI=1S/C14H13N3O5/c18-10-4-5-17(14(22)15-10)9-3-1-2-8-6-16(7-11(19)20)13(21)12(8)9/h1-3H,4-7H2,(H,19,20)(H,15,18,22)
InChIKey
WKVRJDGGSATDHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[7-(2,4-dioxo-1,3-diazinan-1-yl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]acetic acid
CAS: 2925094-84-2
CID: 169548805
Formula: C14H13N3O5
MW: 303.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.27
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass303.08552052
Monoisotopic Mass303.08552052
Topological Polar Surface Area107 Ų
Heavy Atom Count22
Formal Charge0
Complexity535
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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