ChemicalBook--->CAS DataBase List--->1807539-06-5

1807539-06-5

1807539-06-5 Structure

1807539-06-5 Structure
IdentificationBack Directory
[Name]

Acid-PEG3-t-butyl ester
[CAS]

1807539-06-5
[Synonyms]

COOH-PEG3-OtBu
COOH-PEG3-COOtBu
Acid-PEG3-C2-Boc
Acid-PEG3-t-butyl ester
HOOCCH2CH2O-PEG2-CH2CH2COOtBu
2,2-Dimethyl-4-oxo-3,7,10,13-tetraoxahexadecan-16-oic acid
4,7,10,14-Tetraoxahexadecanoic acid, 15,15-dimethyl-13-oxo-
[Molecular Formula]

C14H26O7
[MDL Number]

MFCD28015771
[MOL File]

1807539-06-5.mol
[Molecular Weight]

306.35
Chemical PropertiesBack Directory
[Boiling point ]

423.2±35.0 °C(Predicted)
[density ]

1.106±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

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

Liquid
[pka]

4.28±0.10(Predicted)
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C14H26O7/c1-14(2,3)21-13(17)5-7-19-9-11-20-10-8-18-6-4-12(15)16/h4-11H2,1-3H3,(H,15,16)
[InChIKey]

VDWZJPCGUNJFEE-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[HS Code ]

9999999999
Hazard InformationBack Directory
[Description]

Acid-PEG3-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-PEG3-C2-Boc is a PEG- and Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs for the degradation of EGFR and inhibition of mTOR[1][2].
[IC 50]

PEGs; Alkyl/ether
[References]

[1] Nathanael Gray, et al. Bifunctional molecules for degradation of egfr and methods of use. WO2017185036A1.
[2] Christopher Semko, et al. Rapamycin analogs as mtor inhibitors. WO 2018204416 A1.
Spectrum DetailBack Directory
[Spectrum Detail]

Acid-PEG3-t-butyl ester(1807539-06-5)1HNMR
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