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CRBN ligand-669

CAT: 0804-HY-W953231Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-669 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-669 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925085-61-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)CN1N=C2C=CC=C(C2=C1)N3C(=O)NC(=O)CC3
Molecular Formula
C13H12N4O4
Molecular Weight
288.26
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-(2,4-dioxo-1,3-diazinan-1-yl)-2H-indazol-2-yl]acetic acid
CAS Number2925085-61-4
PubChem CID169548781
IUPAC Name2-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]acetic acid
Molecular FormulaC13H12N4O4
Molecular Weight288.26
XLogP-0.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity469
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=NN(C=C32)CC(=O)O
InChI
InChI=1S/C13H12N4O4/c18-11-4-5-17(13(21)14-11)10-3-1-2-9-8(10)6-16(15-9)7-12(19)20/h1-3,6H,4-5,7H2,(H,19,20)(H,14,18,21)
InChIKey
WEPLLOJHHLBBNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2H-indazol-2-yl]acetic acid
CAS: 2925085-61-4
CID: 169548781
Formula: C13H12N4O4
MW: 288.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.26
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass288.08585488
Monoisotopic Mass288.08585488
Topological Polar Surface Area105 Ų
Heavy Atom Count21
Formal Charge0
Complexity469
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