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CRBN ligand-485

CAT: 0804-HY-W953553Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W953553Size:1 Each
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Description
CRBN ligand-485 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-485 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925097-49-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C1NC(=O)CCN1C=2C=C(N)C=C3C2C=CN3C
Molecular Formula
C13H14N4O2
Molecular Weight
258.28
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

1-(6-amino-1-methyl-1H-indol-4-yl)-1,3-diazinane-2,4-dione
CAS Number2925097-49-8
PubChem CID169548524
IUPAC Name1-(6-amino-1-methylindol-4-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H14N4O2
Molecular Weight258.28
XLogP0
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity400
SMILES
CN1C=CC2=C1C=C(C=C2N3CCC(=O)NC3=O)N
InChI
InChI=1S/C13H14N4O2/c1-16-4-2-9-10(16)6-8(14)7-11(9)17-5-3-12(18)15-13(17)19/h2,4,6-7H,3,5,14H2,1H3,(H,15,18,19)
InChIKey
NZWZHWKXLPGLPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-amino-1-methyl-1H-indol-4-yl)-1,3-diazinane-2,4-dione
CAS: 2925097-49-8
CID: 169548524
Formula: C13H14N4O2
MW: 258.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.28
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass258.11167570
Monoisotopic Mass258.11167570
Topological Polar Surface Area80.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity400
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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