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CRBN ligand-312

CAT: 0013-GTR19275200-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275200-01Size:50 mg
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Description
CRBN ligand-312 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon proteins. It can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925086-02-6
Smiles
O=C1NC (=O) CCN1C=2C=CC=C3C (=NN=CC32) N
Molecular Formula
C12H11N5O2
Molecular Weight
257.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(1-Aminophthalazin-5-yl)-1,3-diazinane-2,4-dione
CAS Number2925086-02-6
PubChem CID169548497
IUPAC Name1-(1-aminophthalazin-5-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H11N5O2
Molecular Weight257.25
XLogP-0.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C(N=NC=C32)N
InChI
InChI=1S/C12H11N5O2/c13-11-7-2-1-3-9(8(7)6-14-16-11)17-5-4-10(18)15-12(17)19/h1-3,6H,4-5H2,(H2,13,16)(H,15,18,19)
InChIKey
LWXGCIANAWDBMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-Aminophthalazin-5-yl)-1,3-diazinane-2,4-dione
CAS: 2925086-02-6
CID: 169548497
Formula: C12H11N5O2
MW: 257.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.25
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass257.09127461
Monoisotopic Mass257.09127461
Topological Polar Surface Area101 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
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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