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CRBN ligand-712

CAT: 0804-HY-W953661Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-712 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-712 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925099-75-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CC1=CC=C(C2=CN(N=C12)C)N3C(=O)NC(=O)CC3
Molecular Formula
C13H12N4O3
Molecular Weight
272.26
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

4-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-7-carbaldehyde
CAS Number2925099-75-6
PubChem CID169548640
IUPAC Name4-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylindazole-7-carbaldehyde
Molecular FormulaC13H12N4O3
Molecular Weight272.26
XLogP-0.3
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity441
SMILES
CN1C=C2C(=CC=C(C2=N1)C=O)N3CCC(=O)NC3=O
InChI
InChI=1S/C13H12N4O3/c1-16-6-9-10(3-2-8(7-18)12(9)15-16)17-5-4-11(19)14-13(17)20/h2-3,6-7H,4-5H2,1H3,(H,14,19,20)
InChIKey
BUSPQJAAVIWBOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-7-carbaldehyde
CAS: 2925099-75-6
CID: 169548640
Formula: C13H12N4O3
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass272.09094026
Monoisotopic Mass272.09094026
Topological Polar Surface Area84.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity441
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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