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KB02-SLF - CAS 2384184-40-9

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KB02-SLF, a PROTAC-based nuclear FKBP12 degrader (molecular glue), promotes nuclear degradation of FKBP12 by covalently modifying DCAF16 (E3 ligase) and can improve the durability of protein degradation in biological systems. SLF binds ubiquitin E3 ligase ligand KB02 via a linker to form KB02-SLF.

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Molecular Formula

C50H65ClN4O12

Molecular Weight

949.52

KB02-SLF

- Specification
  - Purity
    
    ≥95%
    
    Solubility
    
    Soluble in DMSO
    
    Appearance
    
    Powder
    
    Shelf Life
    
    >3 years if stored properly
    
    Storage
    
    Store at 2-8°C, sealed storage, away from moisture and light
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere.
    
    IUPAC Name
    
    [(1R)-1-[3-[3-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]propanoylamino]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
    
    Synonyms
    
    2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-1-[3-[[3-[2-[2-[[2-[[1-(2-chloroacetyl)-1,2,3,4-tetrahydro-6-quinolinyl]oxy]acetyl]amino]ethoxy]ethoxy]-1-oxopropyl]amino]phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)-; (1R)-1-(3-{[3-(2-{2-[({[1-(Chloroacetyl)-1,2,3,4-tetrahydro-6-quinolinyl]oxy}acetyl)amino]ethoxy}ethoxy)propanoyl]amino}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate
- Properties
  - Density
    
    1.240±0.06 g/cm3 (Predicted)
    
    Chemical Name
    
    (R)-1-(3-(3-(2-(2-(2-((1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl)oxy)acetamido)ethoxy)ethoxy)propanamido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
    
    InChI Key
    
    OKJBKEQXKMMRPL-WVILEFPPSA-N
    
    InChI
    
    InChI=1S/C50H65ClN4O12/c1-6-50(2,3)47(59)48(60)55-23-8-7-14-40(55)49(61)67-41(19-15-34-16-20-42(62-4)43(29-34)63-5)36-11-9-13-37(30-36)53-44(56)21-25-64-27-28-65-26-22-52-45(57)33-66-38-17-18-39-35(31-38)12-10-24-54(39)46(58)32-51/h9,11,13,16-18,20,29-31,40-41H,6-8,10,12,14-15,19,21-28,32-33H2,1-5H3,(H,52,57)(H,53,56)/t40-,41+/m0/s1
    
    Canonical SMILES
    
    CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NC(=O)CCOCCOCCNC(=O)COC4=CC5=C(C=C4)N(CCC5)C(=O)CCl
    
    Biological Activity
    
    KB02-SLF promotes the loss of FKBP12_NLS across a concentration of ~0.5-5µM, but shows varied reductions in activity at higher concentrations.

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It is commonly abbreviated as: C₁V₁ = C₂V₂

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