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CRBN ligand-593

CAT: 0013-GTR19276162-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276162-01Size:50 mg
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Description
CRBN ligand-593 is a ligand for the E3 ubiquitin ligase cereblon (CRBN) that is used to recruit cereblon proteins. It can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925075-88-1
Smiles
O=C (O) C=1N=CC2=CC (=CC=C2N1) N3C (=O) NC (=O) CC3
Molecular Formula
C13H10N4O4
Molecular Weight
286.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-2-carboxylic acid
CAS Number2925075-88-1
PubChem CID169548735
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-2-carboxylic acid
Molecular FormulaC13H10N4O4
Molecular Weight286.24
XLogP0.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity469
SMILES
C1CN(C(=O)NC1=O)C2=CC3=CN=C(N=C3C=C2)C(=O)O
InChI
InChI=1S/C13H10N4O4/c18-10-3-4-17(13(21)16-10)8-1-2-9-7(5-8)6-14-11(15-9)12(19)20/h1-2,5-6H,3-4H2,(H,19,20)(H,16,18,21)
InChIKey
LBCIQOSYFDNZGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-2-carboxylic acid
CAS: 2925075-88-1
CID: 169548735
Formula: C13H10N4O4
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass286.07020481
Monoisotopic Mass286.07020481
Topological Polar Surface Area112 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

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