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CRBN ligand-458

CAT: 0013-GTR19276138-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276138-01Size:10 mg
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Description
CRBN ligand-458 is a ligand of the E3 ubiquitin ligase cereblon (CRBN), and is utilized for the recruitment of cereblon proteins. By attaching to a target protein ligand through a linker, CRBN ligand-458 can form a PROTAC.
CAS Number
2925078-09-5
Smiles
O=CC1=CC (=CC=2C=NN=CC12) N3C (=O) NC (=O) CC3
Molecular Formula
C13H10N4O3
Molecular Weight
270.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(2,4-Dioxo-1,3-diazinan-1-yl)phthalazine-5-carbaldehyde
CAS Number2925078-09-5
PubChem CID169548591
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)phthalazine-5-carbaldehyde
Molecular FormulaC13H10N4O3
Molecular Weight270.24
XLogP-0.8
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity428
SMILES
C1CN(C(=O)NC1=O)C2=CC3=CN=NC=C3C(=C2)C=O
InChI
InChI=1S/C13H10N4O3/c18-7-9-4-10(3-8-5-14-15-6-11(8)9)17-2-1-12(19)16-13(17)20/h3-7H,1-2H2,(H,16,19,20)
InChIKey
WPWNJBJEZOLGQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-Dioxo-1,3-diazinan-1-yl)phthalazine-5-carbaldehyde
CAS: 2925078-09-5
CID: 169548591
Formula: C13H10N4O3
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass270.07529019
Monoisotopic Mass270.07529019
Topological Polar Surface Area92.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity428
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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