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2172819-74-6

2172819-74-6 Structure

2172819-74-6 Structure
IdentificationBack Directory
[Name]

6-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-6-oxohexanoic acid
[CAS]

2172819-74-6
[Synonyms]

VH 032-linker 5
VH 032 amide-alkylC4-acid
(S,R. S)-AHPC-pentanoic-acid
6-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-6-oxohexanoic acid
[Molecular Formula]

C28H38N4O6S
[MDL Number]

MFCD32693310
[MOL File]

2172819-74-6.mol
[Molecular Weight]

558.69
Chemical PropertiesBack Directory
[Boiling point ]

878.5±65.0 °C(Predicted)
[density ]

1.272±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO, DMF
[form ]

Solid
[pka]

4.70±0.10(Predicted)
[color ]

white to light yellow
[InChIKey]

DKSZOQIYZOVHOL-TYBLODHISA-N
[SMILES]

C([C@@H](NC(CCCCC(O)=O)=O)[C@](C)(C)C)(=O)N1[C@H](C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@@H](O)C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2934100090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

(S, R, S)-AHPC-pentanoic-acid is a PROTAC linker that incorporate an E3 ligase ligand with a linker to empower PROTAC drug research & discovery. It can react with amine containing molecules.
[Uses]

(S,R,S)-AHPC-C4-COOH (VH032-C4-COOH) (linker 45) is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and a linker used for EED-targeted PROTAC[1].
[storage]

Store at -20°C
[References]

[1] Liu Jing, et al. Preparation of pyrazolopyridines and related heterocycles as CBP and p300 degradation bivalent compds for treatment of diseases. World Intellectual Property Organization, WO2020173440 A1 2020-09-03
Spectrum DetailBack Directory
[Spectrum Detail]

6-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-6-oxohexanoic acid(2172819-74-6)1HNMR
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