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CRBN ligand-313

CAT: 0804-HY-W953081Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-313 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-313 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925084-97-3
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=C3N=C(N=CC3=C2)N
Molecular Formula
C12H11N5O2
Molecular Weight
257.25
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-Aminoquinazolin-6-yl)-1,3-diazinane-2,4-dione
CAS Number2925084-97-3
PubChem CID169548503
IUPAC Name1-(2-aminoquinazolin-6-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H11N5O2
Molecular Weight257.25
XLogP-0.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
C1CN(C(=O)NC1=O)C2=CC3=CN=C(N=C3C=C2)N
InChI
InChI=1S/C12H11N5O2/c13-11-14-6-7-5-8(1-2-9(7)15-11)17-4-3-10(18)16-12(17)19/h1-2,5-6H,3-4H2,(H2,13,14,15)(H,16,18,19)
InChIKey
JIFHNTPYXZXQPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Aminoquinazolin-6-yl)-1,3-diazinane-2,4-dione
CAS: 2925084-97-3
CID: 169548503
Formula: C12H11N5O2
MW: 257.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.25
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass257.09127461
Monoisotopic Mass257.09127461
Topological Polar Surface Area101 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
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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