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CRBN ligand-569

CAT: 0013-GTR19276977-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276977-01Size:10 mg
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Description
CRBN ligand-569 is an E3 ubiquitin ligase cereblon (CRBN) ligand that functions in the recruitment of cereblon proteins. It can be linked via a linker to a target protein ligand to form PROTAC.
CAS Number
2925091-59-2
Smiles
O=C (O) C=1C=CC (=C2N=CN=CC21) N3C (=O) NC (=O) CC3
Molecular Formula
C13H10N4O4
Molecular Weight
286.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-5-carboxylic acid
CAS Number2925091-59-2
PubChem CID169548740
IUPAC Name8-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-5-carboxylic acid
Molecular FormulaC13H10N4O4
Molecular Weight286.24
XLogP-0.3
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=C3C(=C(C=C2)C(=O)O)C=NC=N3
InChI
InChI=1S/C13H10N4O4/c18-10-3-4-17(13(21)16-10)9-2-1-7(12(19)20)8-5-14-6-15-11(8)9/h1-2,5-6H,3-4H2,(H,19,20)(H,16,18,21)
InChIKey
MAILHNBSWHTDEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-5-carboxylic acid
CAS: 2925091-59-2
CID: 169548740
Formula: C13H10N4O4
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP3-0.3
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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