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2010159-57-4

2010159-57-4 Structure

2010159-57-4 Structure
IdentificationBack Directory
[Name]

E3 ligase Ligand-Linker Conjugates 7 Free Base
[CAS]

2010159-57-4
[Synonyms]

VH032-PEG4-NH2
PROTACs Related Compound 8
VHL Ligand-Linker Conjugates 4
(S,R. S)-AHPC-PEG4-amine hydrochloride salt
E3 ligase Ligand-Linker Conjugates 7 Free Base
(S,R,S)-AHPC-PEG4-NH2(E3 ligase Ligand-Linker Conjugates 7)
L-Prolinamide, N-(14-amino-1-oxo-3,6,9,12-tetraoxatetradec-1-yl)-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)-
(2S,4R)-1-((S)-17-amino-2-(tert-butyl)-4-oxo-6,9,12,15-tetraoxa-3-azaheptadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
[Molecular Formula]

C32H49N5O8S
[MDL Number]

MFCD31656715
[MOL File]

2010159-57-4.mol
[Molecular Weight]

663.83
Chemical PropertiesBack Directory
[Boiling point ]

901.7±65.0 °C(Predicted)
[density ]

1.230±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in Water, DMSO, Methanol
[pka]

13.54±0.46(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

(S, R, S)-AHPC-PEG4-amine is a PROTAC linker that incorporates an E3 ligase ligand with a PEG4 unit to empower drug research & discovery. The amine group is reactive with NHS ester or carboxylic acid.
[Uses]

Protein degrader builiding block (S,R,S)-AHPC-PEG4-NH2 (HCl salt) enables the synthesis of molecules for targeted protein degradation and PROTAC (proteolysis-targeting chimeras) technology. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand and a PEGylated crosslinker with pendant amine for reactivity with a carboxyl group on the target ligand. Because even slight alterations in ligands and crosslinkers can affect ternary complex formation between the target, E3 ligase, and PROTAC, many analogs are prepared to screen for optimal target degradation. When used with other protein degrader building blocks with a pendant amine, parallel synthesis can be used to more quickly generate PROTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.
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