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2429877-30-3

2429877-30-3 Structure

2429877-30-3 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2429877-30-3
[Synonyms]

SI-109
((2-(((5S,8S,10aR)-3-acetyl-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid
[Molecular Formula]

C40H44F2N7O9P
[MDL Number]

MFCD32263415
[MOL File]

2429877-30-3.mol
[Molecular Weight]

835.8
Chemical PropertiesBack Directory
[density ]

1.49±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

1.75±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

SI-109 is a potent STAT3 SH2 domain inhibitor (Ki=9 nM) with antitumor activity. SI-109 effectively inhibits the transcriptional activity of STAT3 (IC50=3 μM). SI-109 and an analog of CRBN ligand lenalidomide have been used to design PROTAC STAT3 degrader SD-36[1].
[IC 50]

STAT3: 9 nM (Ki)
[References]

[1] Bai L, et al. A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell. 2019 Nov 11;36(5):498-511.e17. DOI:10.1016/j.ccell.2019.10.002
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