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CRBN ligand-699

CAT: 0804-HY-W952810Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-699 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-699 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925074-73-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)CCN1C2=CC=C3C(=O)N(CC3=C2)CCN
Molecular Formula
C14H16N4O3
Molecular Weight
288.31
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-[2-(2-aminoethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-1,3-diazinane-2,4-dione
CAS Number2925074-73-1
PubChem CID169548787
IUPAC Name1-[2-(2-aminoethyl)-1-oxo-3H-isoindol-5-yl]-1,3-diazinane-2,4-dione
Molecular FormulaC14H16N4O3
Molecular Weight288.30
XLogP-1.3
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)C(=O)N(C3)CCN
InChI
InChI=1S/C14H16N4O3/c15-4-6-17-8-9-7-10(1-2-11(9)13(17)20)18-5-3-12(19)16-14(18)21/h1-2,7H,3-6,8,15H2,(H,16,19,21)
InChIKey
AFEDMCVXOFTYGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(2-aminoethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-1,3-diazinane-2,4-dione
CAS: 2925074-73-1
CID: 169548787
Formula: C14H16N4O3
MW: 288.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.30
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass288.12224039
Monoisotopic Mass288.12224039
Topological Polar Surface Area95.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity467
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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