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CRBN ligand-704

CAT: 0804-HY-W592698-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W592698-01Size:50 mg
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Description
CRBN ligand-704 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-704 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2446913-97-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.50
Smiles
Cl.O=C1NC(=O)CCN1C2=CC=C(C=C2)N3CCNCC3
Molecular Formula
C14H19ClN4O2
Molecular Weight
310.78
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

1-(4-(Piperazin-1-YL)phenyl)dihydropyrimidine-2,4(1H,3H)-dione hydrochloride
CAS Number2446913-97-7
PubChem CID154941993
IUPAC Name1-(4-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
Molecular FormulaC14H19ClN4O2
Molecular Weight310.78
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity373
SMILES
C1CN(C(=O)NC1=O)C2=CC=C(C=C2)N3CCNCC3.Cl
InChI
InChI=1S/C14H18N4O2.ClH/c19-13-5-8-18(14(20)16-13)12-3-1-11(2-4-12)17-9-6-15-7-10-17;/h1-4,15H,5-10H2,(H,16,19,20);1H
InChIKey
XPOUFTXRXQNLKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-(Piperazin-1-YL)phenyl)dihydropyrimidine-2,4(1H,3H)-dione hydrochloride
CAS: 2446913-97-7
CID: 154941993
Formula: C14H19ClN4O2
MW: 310.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.78
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass310.1196536
Monoisotopic Mass310.1196536
Topological Polar Surface Area64.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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