ChemicalBook--->CAS DataBase List--->2098836-45-2

2098836-45-2

2098836-45-2 Structure

2098836-45-2 Structure
IdentificationBack Directory
[Name]

AT1
[CAS]

2098836-45-2
[Synonyms]

BRD4 PROTAC AT1
(2S,4R)-1-(2R)-2-Acetamido-3-[[6-[2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamido]hexyl]thio]-3-methylbutanoyl]-4-hydroxy-N-[4-(4-methylthiazol-5-yl)benzyl)pyrrolidinine-2-carboxamide
[Molecular Formula]

C48H58ClN9O5S3
[MDL Number]

MFCD31656710
[MOL File]

2098836-45-2.mol
[Molecular Weight]

972.68
Chemical PropertiesBack Directory
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 100 mg/mL (102.81 mM)
[form ]

Solid
[pka]

14.05±0.40(Predicted)
[color ]

Off-white to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

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

BRD4 degrader AT1 is a PROTAC connected by ligands for von Hippel-Lindau and BRD4 as a highly selective Brd4 degrader, with a Kd of 44 nM for Brd4BD2 in cells.
[storage]

Store at -20°C
[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
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