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1365655-91-9

1365655-91-9 Structure

1365655-91-9 Structure
IdentificationBack Directory
[Name]

t-Boc-N-amido-PEG2-acid
[CAS]

1365655-91-9
[Synonyms]

Boc-NH-PEG2-COOH
Boc-N-amido-PEG2-acid
t-Boc-N-amido-PEG2-acid
T-BOC-NH-AMIDO-PEG2-COOH
BOC-AMINO-PEG2-PROPANOIC ACID
t-boc-N-amido-PEG2-propionic acid
N-Boc-3-[2-(2-aminoethoxy)ethoxy]propionic Acid
2,2-Dimethyl-4-oxo-3,8,11-trioxa-5-azatetradecan-14-oic acid
4,7,12-Trioxa-10-azatetradecanoic acid, 13,13-dimethyl-11-oxo-
3-[2-(2-([(tert-Butoxy)carbonyl]amino)ethoxy)ethoxy]propanoic acid
[Molecular Formula]

C12H23NO6
[MDL Number]

MFCD22056304
[MOL File]

1365655-91-9.mol
[Molecular Weight]

277.31
Chemical PropertiesBack Directory
[Boiling point ]

429.9±35.0 °C(Predicted)
[density ]

1.125±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

Liquid
[pka]

4.28±0.10(Predicted)
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C12H23NO6/c1-12(2,3)19-11(16)13-5-7-18-9-8-17-6-4-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15)
[InChIKey]

OZMXZVCAXAQCHJ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCOCCOCCNC(=O)OC(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[HS Code ]

2942000090
Hazard InformationBack Directory
[Description]

t-Boc-N-amido-PEG2-acid is a PEG linker containing a terminal carboxylic acid and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. 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. The Boc group can be deprotected under mild acidic conditions to form the free amine.
[Uses]

Boc-NH-PEG2-CH2CH2COOH is a PEG-based PROTAC linker can be used in the synthesis of PROTAC[1].
[IC 50]

PEGs; Alkyl/ether
[References]

[1] Li Y, et al. Discovery of MD-224 as a First-in-Class, Highly Potent, and Efficacious Proteolysis TargetingChimera Murine Double Minute 2 Degrader Capable of Achieving Complete and Durable TumorRegression. J Med Chem. 2019 Jan 24;62(2):448-466. DOI:10.1021/acs.jmedchem.8b00909
Spectrum DetailBack Directory
[Spectrum Detail]

t-Boc-N-amido-PEG2-acid(1365655-91-9)1HNMR
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