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CRBN ligand-764

CAT: 0804-HY-W953480Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-764 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-764 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925094-73-9
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(=CC2=CN(N=C21)C)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

5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-7-carboxylic acid
CAS Number2925094-73-9
PubChem CID169548765
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylindazole-7-carboxylic acid
Molecular FormulaC13H12N4O4
Molecular Weight288.26
XLogP-0.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity483
SMILES
CN1C=C2C=C(C=C(C2=N1)C(=O)O)N3CCC(=O)NC3=O
InChI
InChI=1S/C13H12N4O4/c1-16-6-7-4-8(5-9(12(19)20)11(7)15-16)17-3-2-10(18)14-13(17)21/h4-6H,2-3H2,1H3,(H,19,20)(H,14,18,21)
InChIKey
LCXHEVLMYRJGKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-7-carboxylic acid
CAS: 2925094-73-9
CID: 169548765
Formula: C13H12N4O4
MW: 288.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.26
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.08585488
Monoisotopic Mass288.08585488
Topological Polar Surface Area105 Ų
Heavy Atom Count21
Formal Charge0
Complexity483
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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