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CRBN ligand-759

CAT: 0804-HY-W953653Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-759 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-759 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925099-99-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)C1=C2C=CC=C(C2=NN1C)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

7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-3-carboxylic acid
CAS Number2925099-99-4
PubChem CID169548784
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylindazole-3-carboxylic acid
Molecular FormulaC13H12N4O4
Molecular Weight288.26
XLogP0.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity483
SMILES
CN1C(=C2C=CC=C(C2=N1)N3CCC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C13H12N4O4/c1-16-11(12(19)20)7-3-2-4-8(10(7)15-16)17-6-5-9(18)14-13(17)21/h2-4H,5-6H2,1H3,(H,19,20)(H,14,18,21)
InChIKey
BVTNRUMDKOGHHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-3-carboxylic acid
CAS: 2925099-99-4
CID: 169548784
Formula: C13H12N4O4
MW: 288.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.26
XLogP30.1
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