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SJF620 hydrochloride - CAS 2821938-05-8

Inquiry

SJF620 hydrochloride is a PROTAC linked by ligands for Cereblon and Btk with a DC50 of 7.9 nM. SJF620 contains a lenalidomide analog that can recruit CRBN.

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Molecular Formula

C41H45ClN8O7

Molecular Weight

797.30

SJF620 hydrochloride

- Specification
  - Related CAS
    
    2376187-16-3 (free base)
    
    Purity
    
    ≥99%
    
    Solubility
    
    Soluble in DMSO
    
    Storage
    
    Store at -20°C
    
    IUPAC Name
    
    3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
    
    Synonyms
    
    3-(5-{2-[2-(2-{4-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}ethoxy)ethoxy]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione hydrochloride (1:1); 2,6-Piperidinedione, 3-[5-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]ethoxy]ethoxy]ethoxy]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, hydrochloride (1:1)
- Properties
  - InChI Key
    
    RLEKBKXQGCJLQZ-UHFFFAOYSA-N
    
    InChI
    
    InChI=1S/C41H44N8O7.ClH/c42-38-36-37(27-6-8-31(9-7-27)56-30-4-2-1-3-5-30)46-49(39(36)44-26-43-38)29-14-16-47(17-15-29)18-19-53-20-21-54-22-23-55-32-10-11-33-28(24-32)25-48(41(33)52)34-12-13-35(50)45-40(34)51;/h1-11,24,26,29,34H,12-23,25H2,(H2,42,43,44)(H,45,50,51);1H
    
    Canonical SMILES
    
    C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N.Cl
- Reference Reading
  - 1. Design, synthesis and biological evaluation of Proteolysis Targeting Chimeras (PROTACs) as a BTK degraders with improved pharmacokinetic properties.
    
    Jaime-Figueroa, S., Buhimschi, A.D., Toure, M., Hines, J. and Crews, C.M., 2020. Bioorganic & medicinal chemistry letters, 30(3), p.126877.
    
    A new series of Proteolysis Targeting Chimeras (PROTACs) targeting Bruton's Tyrosine Kinase (BTK) was synthesized, with the goal of improving the pharmacokinetic properties of our previously reported PROTAC, MT802. We recently described the ability of MT802 to induce degradation of both wild-type and C481S mutant BTK in immortalized cells and patient-derived B-lymphocytes. However, the pharmacokinetic properties of MT802 were not suitable for further in vivo development. Therefore, we undertook a systematic medicinal chemistry campaign to overcome this issue and made a series of PROTACs with structural modifications to the linker and E3-recruiting ligand; more specifically, the new PROTACs were synthesized with different von Hippel-Lindau (VHL) and cereblon (CRBN) ligands while keeping the BTK ligand and linker length constant. This approach resulted in an equally potent PROTAC, SJF620, with a significantly better pharmacokinetic profile than MT802. This compound may hold promise for further in vivo exploration of BTK degradation.

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