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CRBN ligand-887

CAT: 0804-HY-W998349Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-887 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-887 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
56012-66-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(N)NC1C(=O)NC(=O)NC1
Molecular Formula
C5H8N4O3
Molecular Weight
172.14
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

(2,4-Dioxo-hexahydro-pyrimidin-5-yl)-urea
CAS Number56012-66-9
PubChem CID12202209
IUPAC Name(2,4-dioxo-1,3-diazinan-5-yl)urea
Molecular FormulaC5H8N4O3
Molecular Weight172.14
XLogP-2.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity239
SMILES
C1C(C(=O)NC(=O)N1)NC(=O)N
InChI
InChI=1S/C5H8N4O3/c6-4(11)8-2-1-7-5(12)9-3(2)10/h2H,1H2,(H3,6,8,11)(H2,7,9,10,12)
InChIKey
RUTLEMUBAVEUEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Dioxo-hexahydro-pyrimidin-5-yl)-urea
CAS: 56012-66-9
CID: 12202209
Formula: C5H8N4O3
MW: 172.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.14
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass172.05964013
Monoisotopic Mass172.05964013
Topological Polar Surface Area113 Ų
Heavy Atom Count12
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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