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CRBN ligand-633

CAT: 0804-HY-W953317Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-633 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-633 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925089-10-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)C1=CC(=CC=2C=NNC21)N3C(=O)NC(=O)CC3
Molecular Formula
C12H10N4O4
Molecular Weight
274.24
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

5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carboxylic acid
CAS Number2925089-10-5
PubChem CID169548667
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carboxylic acid
Molecular FormulaC12H10N4O4
Molecular Weight274.23
XLogP-0.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity455
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C(=C2)C(=O)O)NN=C3
InChI
InChI=1S/C12H10N4O4/c17-9-1-2-16(12(20)14-9)7-3-6-5-13-15-10(6)8(4-7)11(18)19/h3-5H,1-2H2,(H,13,15)(H,18,19)(H,14,17,20)
InChIKey
ICRISYQZCRVUMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carboxylic acid
CAS: 2925089-10-5
CID: 169548667
Formula: C12H10N4O4
MW: 274.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.23
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass274.07020481
Monoisotopic Mass274.07020481
Topological Polar Surface Area115 Ų
Heavy Atom Count20
Formal Charge0
Complexity455
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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