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CRBN ligand-478

CAT: 0804-HY-W953645Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-478 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-478 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925100-18-9
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=3C=CN(C3C2)CCN
Molecular Formula
C14H16N4O2
Molecular Weight
272.31
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-[1-(2-aminoethyl)-1H-indol-6-yl]-1,3-diazinane-2,4-dione
CAS Number2925100-18-9
PubChem CID169548643
IUPAC Name1-[1-(2-aminoethyl)indol-6-yl]-1,3-diazinane-2,4-dione
Molecular FormulaC14H16N4O2
Molecular Weight272.30
XLogP-0.3
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity401
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)C=CN3CCN
InChI
InChI=1S/C14H16N4O2/c15-5-8-17-6-3-10-1-2-11(9-12(10)17)18-7-4-13(19)16-14(18)20/h1-3,6,9H,4-5,7-8,15H2,(H,16,19,20)
InChIKey
QIGNWHJKMFDZMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[1-(2-aminoethyl)-1H-indol-6-yl]-1,3-diazinane-2,4-dione
CAS: 2925100-18-9
CID: 169548643
Formula: C14H16N4O2
MW: 272.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.30
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass272.12732577
Monoisotopic Mass272.12732577
Topological Polar Surface Area80.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity401
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