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PROTAC IRAK4 degrader-1 - CAS 2360533-90-8

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PROTAC IRAK4 degrader-1 is a Cereblon-based PROTAC interleukin-1 receptor-associated kinase 4 (IRAK4) degrader extracted from patent US20190192668A1 Compound I-210, makes 20-50%, and >50% IRAK4 degradation at 0.01, 0.1, and 1 μM in OCI-LY-10 cells, respectively.

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Molecular Formula

C44H39F3N12O7

Molecular Weight

904.85

PROTAC IRAK4 degrader-1

- Specification
  - Purity
    
    ≥95%
    
    Solubility
    
    Soluble in DMSO
    
    Appearance
    
    Solid
    
    Storage
    
    Store at -20°C
    
    IUPAC Name
    
    2-[2-(cyclopropylmethylamino)pyridin-4-yl]-N-[1-[4-[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]imidazol-1-yl]propylcarbamoyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
    
    Synonyms
    
    2-{2-[(Cyclopropylmethyl)amino]-4-pyridinyl}-N-{1-[4-({3-[4-({[2-(2,6-dioxo-3-piperidinyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}methyl)-1H-imidazol-1-yl]propyl}carbamoyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-4-yl}-1,3-oxazole-4-carboxamide; 4-Oxazolecarboxamide, 2-[2-[(cyclopropylmethyl)amino]-4-pyridinyl]-N-[1-[4-[[[3-[4-[[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]methyl]-1H-imidazol-1-yl]propyl]amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazol-4-yl]-
- Properties
  - Density
    
    1.6±0.1 g/cm3
    
    InChI Key
    
    YXSXFMHKDNIZFS-UHFFFAOYSA-N
    
    InChI
    
    InChI=1S/C44H39F3N12O7/c45-44(46,47)37-31(53-39(62)32-22-66-41(54-32)26-13-15-48-34(17-26)51-18-24-5-6-24)21-58(56-37)28-9-7-25(8-10-28)38(61)49-14-2-16-57-20-27(52-23-57)19-50-30-4-1-3-29-36(30)43(65)59(42(29)64)33-11-12-35(60)55-40(33)63/h1,3-4,7-10,13,15,17,20-24,33,50H,2,5-6,11-12,14,16,18-19H2,(H,48,51)(H,49,61)(H,53,62)(H,55,60,63)
    
    Canonical SMILES
    
    C1CC1CNC2=NC=CC(=C2)C3=NC(=CO3)C(=O)NC4=CN(N=C4C(F)(F)F)C5=CC=C(C=C5)C(=O)NCCCN6C=C(N=C6)CNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O

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