ChemicalBook--->CAS DataBase List--->252881-76-8

252881-76-8

252881-76-8 Structure

252881-76-8 Structure
IdentificationBack Directory
[Name]

Biotin-PEG3-propionic acid
[CAS]

252881-76-8
[Synonyms]

Biotin-PEG3-COOH
Biotin-PEG3-acid
(+)-Biotin-PEG3-acid
(+)-Biotin-PEG3-CH2CH2COOH
Biotin-PEG3-propionic acid
(+)-BIOTIN-PEG3-PROPIONIC ACID
(+)-Biotin-PEG?-propionic acid
(+)-Biotin-PEG3-propionic acid
18-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-14-oxo-4,7,10-trioxa-13-azaoctadecanoic acid
4,7,10-Trioxa-13-azaoctadecanoic acid, 18-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-14-oxo-
[Molecular Formula]

C19H33N3O7S
[MDL Number]

MFCD22574817
[MOL File]

252881-76-8.mol
[Molecular Weight]

447.55
Chemical PropertiesBack Directory
[Boiling point ]

770.7±60.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[solubility ]

Soluble in Water, DMSO, DMF
[form ]

Solid
[pka]

4.28±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

HRGPPBXEZFBGDJ-MPGHIAIKSA-N
[SMILES]

C(O)(=O)CCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@]2([H])NC(=O)N[C@@]2([H])CS1
Safety DataBack Directory
[HS Code ]

2918999090
Hazard InformationBack Directory
[Description]

Biotin-PEG3-acid is a biotinylation reagent that can react with amine attached molecule. PEG attached to the biotin gives an extended spacer arm that permits the biotin to reach into the binding pocket of the protein or macromolecule.
[Uses]

Biotin-PEG3-acid is a biotin-labeled, PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[IC 50]

PEGs
[References]

[1] Gadd MS, et al. Structural basis of PROTAC cooperative recognition for selective protein degradation. Nat Chem Biol. 2017 May;13(5):514-521. DOI:10.1038/nchembio.2329
Spectrum DetailBack Directory
[Spectrum Detail]

Biotin-PEG3-propionic acid(252881-76-8)1HNMR
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