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PROTAC FKBP Degrader-3 - CAS 2079056-43-0

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PROTAC FKBP Degrader-3 is a PROTAC that comprises a FKBP ligand binding group, a linker and an von Hippel-Lindau binding group. PROTAC FKBP Degrader-3 is a potent FKBP degrader.

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Molecular Formula

C68H90N6O17S

Molecular Weight

1295.54

PROTAC FKBP Degrader-3

- Specification
  - Purity
    
    ≥98%
    
    Solubility
    
    DMSO: 25 mg/mL (19.30 mM)
    
    Appearance
    
    Solid
    
    Storage
    
    Store at -20°C
    
    IUPAC Name
    
    [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
    
    Synonyms
    
    [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[2-[2-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
- Properties
  - Boiling Point
    
    1297.9±65.0°C at 760 mmHg
    
    Density
    
    1.2±0.1 g/cm3
    
    InChI Key
    
    CCQROXFLIRBPGZ-UKYCKITISA-N
    
    InChI
    
    InChI=1S/C68H90N6O17S/c1-11-51(48-35-57(84-8)61(86-10)58(36-48)85-9)65(79)73-27-13-12-17-52(73)67(81)91-54(24-20-44-21-25-55(82-6)56(33-44)83-7)47-15-14-16-50(34-47)90-41-59(76)69-26-28-87-29-30-88-31-32-89-40-60(77)72-63(68(3,4)5)66(80)74-39-49(75)37-53(74)64(78)70-38-45-18-22-46(23-19-45)62-43(2)71-42-92-62/h14-16,18-19,21-23,25,33-36,42,49,51-54,63,75H,11-13,17,20,24,26-32,37-41H2,1-10H3,(H,69,76)(H,70,78)(H,72,77)/t49-,51+,52+,53+,54-,63-/m1/s1
    
    Canonical SMILES
    
    CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCOCCOCCOCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C

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