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CRBN ligand-744

CAT: 0804-HY-W953138Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-744 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-744 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925081-80-5
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=2C=CC(=CC2N1C)N3C(=O)NC(=O)CC3
Molecular Formula
C14H13N3O4
Molecular Weight
287.28
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

6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-2-carboxylic acid
CAS Number2925081-80-5
PubChem CID169548758
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindole-2-carboxylic acid
Molecular FormulaC14H13N3O4
Molecular Weight287.27
XLogP0.5
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
CN1C(=CC2=C1C=C(C=C2)N3CCC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C14H13N3O4/c1-16-10-7-9(17-5-4-12(18)15-14(17)21)3-2-8(10)6-11(16)13(19)20/h2-3,6-7H,4-5H2,1H3,(H,19,20)(H,15,18,21)
InChIKey
ORJCPJYEZGRSKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-2-carboxylic acid
CAS: 2925081-80-5
CID: 169548758
Formula: C14H13N3O4
MW: 287.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.27
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass287.09060590
Monoisotopic Mass287.09060590
Topological Polar Surface Area91.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
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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