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2655656-99-6

2655656-99-6 Structure

2655656-99-6 Structure
IdentificationBack Directory
[Name]

N-[2-[trans-4-[[6-[2-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]hept-2-yl]methyl]cyclohexyl]-5-(1-hydroxy-1-methylethyl)-6-benzothiazolyl]-6-(trifluoromethyl)-2-pyridinecarboxamide
[CAS]

2655656-99-6
[Synonyms]

N-[2-[trans-4-[[6-[2-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]hept-2-yl]methyl]cyclohexyl]-5-(1-hydroxy-1-methylethyl)-6-benzothiazolyl]-6-(trifluoromethyl)-2-pyridinecarboxamide
[Molecular Formula]

C45H48F3N7O6S
[MOL File]

2655656-99-6.mol
[Molecular Weight]

871.97
Chemical PropertiesBack Directory
[density ]

1.47±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
[form ]

Solid
[pka]

10.75±0.40(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Uses]

KT-413 (example I-3) is an orally active PROTAC-class IRAK degrader[1]. KT-413 consists of a target protein ligand (red part) PROTAC IRAK4 ligand-5 (HY-168311), an E3 ubiquitin ligase ligand (blue part) Thalidomide-4-Br (HY-W039116), and a PROTAC linker (black part) 2-(2-Azaspiro[3.3]heptan-6-yl)ethanamine (HY-168313). E3 ubiquitin ligase and linker can form Thalidomide-NH-C2-2-azaspiro[3.3]heptane (HY-168312). The active control for the target protein ligand is RSL3-4-Me (HY-169375).
[References]

[1] Weiss Matthew M. Preparation of benzothiazole derivatives as IRAK degraders and uses thereof. World Intellectual Property Organization, WO2021127190 A1. 2021-06-24.
[2] Zeng S, et al. Current advances and development strategies of orally bioavailable PROTACs. Eur J Med Chem. 2023 Dec 5;261:115793. DOI:10.1016/j.ejmech.2023.115793
Spectrum DetailBack Directory
[Spectrum Detail]

N-[2-[trans-4-[[6-[2-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]hept-2-yl]methyl]cyclohexyl]-5-(1-hydroxy-1-methylethyl)-6-benzothiazolyl]-6-(trifluoromethyl)-2-pyridinecarboxamide(2655656-99-6)1HNMR
2655656-99-6 suppliers list
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