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1799506-07-2

1799506-07-2 Structure

1799506-07-2 Structure
IdentificationBack Directory
[Name]

2-Pyrrolidinecarboxamide, N-[[2-[2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-5-thiazolyl)phenyl]methyl]-1-[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-3-methyl-1-oxobutyl]-4-hydroxy-, (2S,4R)-
[CAS]

1799506-07-2
[Synonyms]

HaloPROTAC3
(2S,4R)-N-(2-(2-(2-(2-((6- Chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4- methylthiazol-5-yl)benzyl)-4-hydroxy-1-((S)-3-methyl-2-(1- oxoisoindolin-2-yl)butanoyl)pyrrolidine-2-carboxamide
2-Pyrrolidinecarboxamide, N-[[2-[2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-5-thiazolyl)phenyl]methyl]-1-[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-3-methyl-1-oxobutyl]-4-hydroxy-, (2S,4R)-
[Molecular Formula]

C41H55ClN4O8S
[MOL File]

1799506-07-2.mol
[Molecular Weight]

799.42
Chemical PropertiesBack Directory
[Boiling point ]

952.2±65.0 °C(Predicted)
[density ]

1.250±0.06 g/cm3(Predicted)
[form ]

Viscous Liquid
[pka]

14.07±0.40(Predicted)
[color ]

Colorless to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H303-H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P312-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

VH285-PEG4-C4-Cl (HaloPROTAC 3) is a conjugate of ligands for E3 and 16-atom-length linker. The connector of linker is Halogen group. VH285-PEG4-C4-Cl incorporates the VH285 based VHL ligand and an alkyl/ether-based linker. VH285-PEG4-C4-Cl is a highly potent and efficacious degrader of GFP-HaloTag7 with a DC50 of 19 nM. VH285-PEG4-C4-Cl is able to induce 90 % degradation of GFP-Halotag at 625 nM. VH285-PEG4-C4-Cl binds to VHL with an IC50 of 0.54 μM[1].
[IC 50]

VHL
[References]

[1] Buckley DL, et al. HaloPROTACS: Use of Small Molecule PROTACs to Induce Degradation of HaloTag Fusion Proteins. ACS Chem Biol. 2015 Aug 21;10(8):1831-7. DOI:10.1021/acschembio.5b00442
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pyrrolidinecarboxamide, N-[[2-[2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-5-thiazolyl)phenyl]methyl]-1-[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-3-methyl-1-oxobutyl]-4-hydroxy-, (2S,4R)-(1799506-07-2)1HNMR
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