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CRBN ligand-688

CAT: 0804-HY-W999678Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-688 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-688 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925097-61-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CC1=CN(C=2C=C(C=CC12)N3C(=O)NC(=O)CC3)C
Molecular Formula
C14H13N3O3
Molecular Weight
271.28
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

6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-3-carbaldehyde
CAS Number2925097-61-4
PubChem CID169548609
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindole-3-carbaldehyde
Molecular FormulaC14H13N3O3
Molecular Weight271.27
XLogP0.1
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity439
SMILES
CN1C=C(C2=C1C=C(C=C2)N3CCC(=O)NC3=O)C=O
InChI
InChI=1S/C14H13N3O3/c1-16-7-9(8-18)11-3-2-10(6-12(11)16)17-5-4-13(19)15-14(17)20/h2-3,6-8H,4-5H2,1H3,(H,15,19,20)
InChIKey
URPUZTJSURXJQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-3-carbaldehyde
CAS: 2925097-61-4
CID: 169548609
Formula: C14H13N3O3
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.27
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass271.09569129
Monoisotopic Mass271.09569129
Topological Polar Surface Area71.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity439
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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