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PD 4'-oxyacetic acid

CAT: 0804-HY-W761299-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W761299-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PD 4'-oxyacetic acid is a carboxylic acid-functionalized cereblon ligand that can be used for PROTAC Degrader development[1].
CAS Number
2633633-12-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/pd-4-oxyacetic-acid.html
Purity
99.69
Solubility
DMSO : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(O)COC1=CC=C(N(C(N2)=O)CCC2=O)C=C1
Molecular Formula
C12H12N2O5
Molecular Weight
264.24
Precautions
H302, H315, H319, H335
References & Citations
[1]Jarusiewicz JA, et al. Phenyl Dihydrouracil: An Alternative Cereblon Binder for PROTAC Design. ACS Med Chem Lett. 2023;14 (2) :141-145. Published 2023 Jan 4.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

2-(4-(2,4-Dioxotetrahydropyrimidin-1(2H)-YL)phenoxy)acetic acid
CAS Number2633633-12-0
PubChem CID156176341
IUPAC Name2-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetic acid
Molecular FormulaC12H12N2O5
Molecular Weight264.23
XLogP0.2
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity376
SMILES
C1CN(C(=O)NC1=O)C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C12H12N2O5/c15-10-5-6-14(12(18)13-10)8-1-3-9(4-2-8)19-7-11(16)17/h1-4H,5-7H2,(H,16,17)(H,13,15,18)
InChIKey
QZLQKDIAPJHBAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(2,4-Dioxotetrahydropyrimidin-1(2H)-YL)phenoxy)acetic acid
CAS: 2633633-12-0
CID: 156176341
Formula: C12H12N2O5
MW: 264.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.23
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass264.07462149
Monoisotopic Mass264.07462149
Topological Polar Surface Area95.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity376
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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