Aminooxy-PEG4-acid
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Basic information
- CAS
1807537-38-7- Standard SMILES
NOCCOCCOCCOCCOCCC(=O)O- InChIKey
UBYSJSIIVZPQED-UHFFFAOYSA-N- Molecular formula
- C11H23NO7
- Average molar mass
- 281.3 g/mol
Names & identifiers
- Preferred name
- Aminooxy-PEG4-acid
- IUPAC
- 3-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
- English name
- Aminoxy-PEG4-acid
- Molecular formula
- C11H23NO7
- Molecular weight
- 281.3
Names & synonyms
Aminooxy-PEG4-acidAminoxy-PEG4-acid1807537-38-7MFCD280157783-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acidAminooxy-PEG4-COOHAminoxy-PEG4-COOHorb1989556SCHEMBL31469180C11H23NO71-(AMINOOXY)-3,6,9,12-TETRAOXAPENTADECAN-15-OIC ACIDAKOS040741133
Show more names
Aminooxy-PEG4-acid HCl saltHydroxylamine-tetraethylene glycol-carboxylic acidPropanoic acid, 3-[2-[2-[2-[2-(aminooxy)ethoxy]ethoxy]ethoxy]ethoxy]-
BP-22136DA-61003HY-140394CS-0114416C70065T14270Aminooxy-PEG4-acid HCl salt 10M aqueous solution3-[2-[2-[2-[2-(Aminooxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Database identifiers
- CAS
1807537-38-7
Properties
Computed structural propertiesFilling in
- XLogP
- -4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 448.6 · 448.6±45.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- solubility
- Soluble in Water, DMSO, DMF
- pka
- 4.28 · 4.28±0.10(Predicted)
Chemistry & industry
Applications
DescriptionAminooxy-PEG4-acid is a PEG linker containing an aminooxy group and a terminal carboxylic acid. The hydrophilic PEG spacer increases solubility in aqueous media. The aminooxy group can be used in bioconjugation. It reacts with an aldehyde to form an oxime bond. If a reductant is used, it will form a hydroxylamine linkage. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. Aminooxy compounds are very reactive and sensitive; they cannot be stored for long term. Immediate use (within 1 week) is highly recommended. Aminooxy-PEG4-acid is not stable as a neat compound; it is sold as 1.0M aqueous solution.
UsesAminooxy-PEG4-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
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Compound notes
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