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2010159-56-3

2010159-56-3 Structure

2010159-56-3 Structure
IdentificationBack Directory
[Name]

E3 ligase Ligand-Linker Conjugates 5 Free Base
[CAS]

2010159-56-3
[Synonyms]

VH032-PEG3-NH2
(S,R,S)-AHPC-PEG3-NH2
PROTACs Related Compound 7
VHL Ligand-Linker Conjugates 1
(S, R, S)-AHPC-PEG3-amine hydrochloride salt
E3 ligase Ligand-Linker Conjugates 5 Free Base
(S,R,S)-AHPC-PEG3-NH2 (E3 ligase Ligand-Linker Conjugates 5)
L-Prolinamide, N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)-
(2S,4R)-1-((S)-14-amino-2-(tert-butyl)-4-oxo-6,9,12-trioxa-3-azatetradecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
[Molecular Formula]

C30H45N5O7S
[MDL Number]

MFCD31727698
[MOL File]

2010159-56-3.mol
[Molecular Weight]

619.77
Chemical PropertiesBack Directory
[Boiling point ]

879.2±65.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[form ]

Solid
[pka]

13.54±0.46(Predicted)
[color ]

Light yellow to yellow
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

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

(S, R, S)-AHPC-PEG3-amine hydrochloride salt is comprised of VHL Ligand coupled to an amine via a PEG3 linker. The 1 VHL Ligand 1 is a synthetic compound used in PROTAC research based on E3 ligase ligand. NH2 group is reactive with carboxylic acids in the presence of coupling reagent such as EDC , or directly with NHS esters, to form a stable amide bond.
[Uses]

(S,R,S)-AHPC-PEG3-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 3-unit PEG linker used in PROTAC technology.
[IC 50]

VHL
[References]

[1] Chan KH, et al. Impact of Target Warhead and Linkage Vector on Inducing Protein Degradation: Comparison of Bromodomain and Extra-Terminal (BET) Degraders Derived from Triazolodiazepine (JQ1) and Tetrahydroquinoline (I-BET726) BET Inhibitor Scaffolds. J Me DOI:10.1021/acs.jmedchem.6b01912
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