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Hydrouracil-3-Ph-COOH

CAT: 0804-HY-W576870-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W576870-01Size:25 mg
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Description
Hydrouracil-3-Ph-COOH is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. Hydrouracil-3-Ph-COOH can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2377644-59-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.0
Smiles
O=C(O)C1=CC=CC(=C1)N2C(=O)NC(=O)CC2
Molecular Formula
C11H10N2O4
Molecular Weight
234.21
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(2,4-Dioxotetrahydropyrimidin-1(2H)-YL)benzoic acid
CAS Number2377644-59-0
PubChem CID139534553
IUPAC Name3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid
Molecular FormulaC11H10N2O4
Molecular Weight234.21
XLogP0.1
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity355
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H10N2O4/c14-9-4-5-13(11(17)12-9)8-3-1-2-7(6-8)10(15)16/h1-3,6H,4-5H2,(H,15,16)(H,12,14,17)
InChIKey
LUZWUJHEFXNXKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,4-Dioxotetrahydropyrimidin-1(2H)-YL)benzoic acid
CAS: 2377644-59-0
CID: 139534553
Formula: C11H10N2O4
MW: 234.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.21
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass234.06405680
Monoisotopic Mass234.06405680
Topological Polar Surface Area86.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity355
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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MD016016-3-01COOH-PEG3-COOH
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