ChemicalBook--->CAS DataBase List--->1347750-75-7

1347750-75-7

1347750-75-7 Structure

1347750-75-7 Structure
IdentificationBack Directory
[Name]

Boc-9-AMino-4,7-Dioxanonanoic acid
[CAS]

1347750-75-7
[Synonyms]

Boc-PEG3- CH2 CH2COOH
Boc-N-amido-PEG3-acid
Boc-NH-PEG3-CH2CH2COOH
t-Boc-N-amido-PEG3-acid
T-BOC-NH-AMIDO-PEG3-COOH
t-boc-N-amido-PEG3-propionic acid
Boc-9-AMino-4,7-Dioxanonanoic acid
(Boc-amino)-PEG3-C2-Carboxylic Acid
12-(Boc-amino)-4,7,10-trioxadodecanoic Acid
12-[(tert-Butoxycarbonyl)amino]-4,7,10-trioxadodecanoic Acid
2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azaheptadecan-17-oic acid
5,8,11-Trioxa-2-azatetradecanedioic acid 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C12H23NO6
[MDL Number]

MFCD24539476
[MOL File]

1347750-75-7.mol
[Molecular Weight]

277.314
Chemical PropertiesBack Directory
[Boiling point ]

471.1±40.0 °C(Predicted)
[density ]

1.124±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Sparingly), Methanol(Sparingly)
[form ]

Oil
[pka]

4.28±0.10(Predicted)
[color ]

Colourless
[InChI]

InChI=1S/C14H27NO7/c1-14(2,3)22-13(18)15-5-7-20-9-11-21-10-8-19-6-4-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)
[InChIKey]

PFAQEUVPPBOTTA-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2942000090
Hazard InformationBack Directory
[Description]

t-Boc-N-amido-PEG3-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-N-amido-PEG3-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[IC 50]

PEGs; Alkyl/ether
[References]

[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 DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

Boc-9-AMino-4,7-Dioxanonanoic acid(1347750-75-7)1HNMR
Boc-9-AMino-4,7-Dioxanonanoic acid(1347750-75-7)1HNMR
Boc-9-AMino-4,7-Dioxanonanoic acid(1347750-75-7)13CNMR
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