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3,6-Dioxaoctanedioic acid

CAT: 0804-HY-W004945-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W004945-01Size:100 mg
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Description
36-Dioxaoctanedioic acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
23243-68-7
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/3-6-dioxaoctanedioic-acid.html
Purity
99.91
Solubility
DMSO : ≥ 175 mg/mL
Smiles
O=C(O)COCCOCC(O)=O
Molecular Formula
C6H10O6
Molecular Weight
178.14
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

3,6-Dioxaoctandioic acid
CAS Number23243-68-7
PubChem CID90039
IUPAC Name2-[2-(carboxymethoxy)ethoxy]acetic acid
Molecular FormulaC6H10O6
Molecular Weight178.14
XLogP-0.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity136
SMILES
C(COCC(=O)O)OCC(=O)O
InChI
InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey
CQWXKASOCUAEOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Dioxaoctandioic acid
CAS: 23243-68-7
CID: 90039
Formula: C6H10O6
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass178.04773803
Monoisotopic Mass178.04773803
Topological Polar Surface Area93.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity136
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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