t-Boc-Aminooxy-PEG4-NHS ester
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Basic information
- CAS
2401831-99-8- Standard SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O- InChIKey
VNCXPIZEFLGDMH-UHFFFAOYSA-N- Molecular formula
- C20H34N2O11
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.2162599
Names & identifiers
- Preferred name
- t-Boc-Aminooxy-PEG4-NHS ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
- English name
- t-Boc-Aminooxy-PEG4-NHS ester
- Molecular formula
- C20H34N2O11
- Molecular weight
- 478.49
Names & synonyms
t-Boc-Aminooxy-PEG4-NHS ester2401831-99-82,5-dioxopyrrolidin-1-yl 1-{[(tert-butoxy)carbonyl]amino}-1,4,7,10,13-pentaoxahexadecan-16-oateBoc-aminooxy-PEG4-NHS Esterorb1987693SCHEMBL30737616C20H34N2O11MFCD32670307AKOS0407439062,5-dioxopyrrolidin-1-yl 2,2-dimethyl-4-oxo-3,6,9,12,15,18-hexaoxa-5-azahenicosan-21-oateBP-24429DA-67969
Show more names
3,6,9,12,15-Pentaoxa-2-azaoctadecanedioic acid, 1-(1,1-dimethylethyl) 18-(2,5-dioxo-1-pyrrolidinyl) ester
MS-28885SY470453HY-140417CS-0115395F82606T18741F987141(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(tert-butoxycarbonylamino)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
Database identifiers
- CAS
2401831-99-8- PubChem CID
- 145714645
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 20
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- solubility
- Soluble in DMSO, DCM, DMF
- form
- Viscous Liquid
- color
- Colorless to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Chemistry & industry
Applications
Descriptiont-Boc-Aminooxy-PEG4-NHS ester is an active NHS ester which can react with amino(NH2)-containing molecule. The t-Boc can be removed under mild acidic condition to free the aminooxy group, which can react with aldehyde moiety..
Usest-Boc-Aminooxy-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
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Compound notes
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