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ChemicalBook--->CAS DataBase List--->1835759-85-7

1835759-85-7

1835759-85-7 Structure

1835759-85-7 Structure
IdentificationBack Directory
[Name]

Acid-PEG4-t-butyl ester
[CAS]

1835759-85-7
[Synonyms]

COOH-PEG4-OtBu
COOH-PEG4-COOtBu
Acid-PEG4-C2-Boc
Acid-PEG4-t-butyl ester
HOOCCH2CH2O-PEG3-CH2CH2COOtBu
Di-tert-butyl 4,7,10,13-tetraoxahexadecane-1,16-dioate
2,2-Dimethyl-4-oxo-3,7,10,13,16-pentaoxanonadecan-19-oic acid
4,7,10,13-Tetraoxahexadecanedioic acid, 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C20H38O8
[MDL Number]

MFCD29042335
[MOL File]

1835759-85-7.mol
[Molecular Weight]

350.4
Chemical PropertiesBack Directory
[Boiling point ]

460.1±40.0 °C(Predicted)
[density ]

1.107±0.06 g/cm3(Predicted)
[solubility ]

Soluble in Water, DMSO, DCM, DMF
[form ]

Liquid
[pka]

4.28±0.10(Predicted)
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C16H30O8/c1-16(2,3)24-15(19)5-7-21-9-11-23-13-12-22-10-8-20-6-4-14(17)18/h4-13H2,1-3H3,(H,17,18)
[InChIKey]

LXMHKDZTUDTSCT-UHFFFAOYSA-N
[SMILES]

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


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Description]

Acid-PEG4-t-butyl ester is a PEG linker containing a t-butyl protected carboxyl group with a terminal carboxylic acid. 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 hydrophilic PEG spacer increases solubility in aqueous media. The t-butyl protected carboxyl group can be deprotected under acidic conditions.
[Uses]

Acid-PEG4-C2-Boc is a PEG- and Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs for the inhibition of mTOR[1].
[IC 50]

PEGs; Alkyl/ether
[References]

[1] Jennifer PITZEN , et al. C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors. WO2019212990A1.
Spectrum DetailBack Directory
[Spectrum Detail]

Acid-PEG4-t-butyl ester(1835759-85-7)1HNMR
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