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CRBN ligand-568

CAT: 0804-HY-W953372Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-568 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-568 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925092-62-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)CN1C=CC=2C=C(C=CC21)N3C(=O)NC(=O)CC3
Molecular Formula
C14H13N3O4
Molecular Weight
287.28
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

2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indol-1-yl]acetic acid
CAS Number2925092-62-0
PubChem CID169548757
IUPAC Name2-[5-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]acetic acid
Molecular FormulaC14H13N3O4
Molecular Weight287.27
XLogP0.4
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)O
InChI
InChI=1S/C14H13N3O4/c18-12-4-6-17(14(21)15-12)10-1-2-11-9(7-10)3-5-16(11)8-13(19)20/h1-3,5,7H,4,6,8H2,(H,19,20)(H,15,18,21)
InChIKey
YYJMHTWBSUDHOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indol-1-yl]acetic acid
CAS: 2925092-62-0
CID: 169548757
Formula: C14H13N3O4
MW: 287.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.27
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass287.09060590
Monoisotopic Mass287.09060590
Topological Polar Surface Area91.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity467
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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