MS41 - CAS 2768610-97-3

MS41 is a highly potent and selective PROTAC degrader of eleven-nineteen leukemia (ENL) that recruits the von Hippel–Lindau (VHL) E3 ubiquitin ligase, with DC50 values of 3.50 nM (MV4;11), 2.84 nM (SEMK2), 3.03 nM (Jurkat), and 26.58 nM (KASUMI1). It effectively inhibits the growth of ENL-dependent leukemia cells by inducing G1 cell cycle arrest and increasing apoptosis, reduces the chromatin occupancy of ENL-associated transcription elongation machinery, and suppresses oncogenic gene expression and leukemia progression in both cellular and xenograft mouse models.

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Molecular Formula
C56H70N8O9S
Molecular Weight
1031.3

MS41

    • Specification
      • Purity
        >95%
        Appearance
        White to off-white Solid
        Storage
        Store at -20 °C
        IUPAC Name
        5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[(1R)-6-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2-oxazole-3-carboxamide
        Synonyms
        EX-A9896
    • Properties
      • Boiling Point
        1208.139±65.00 °C(Press: 760.00 Torr)(predicted)
        Density
        1.325±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
        InChI Key
        XPICNVKPGAOVBF-VCNVHFLLSA-N
        InChI
        InChI=1S/C56H70N8O9S/c1-33(35-16-19-37(20-17-35)49-34(2)58-32-74-49)59-53(70)45-29-40(65)31-64(45)55(72)50(56(3,4)5)61-48(67)15-13-11-9-8-10-12-14-26-57-51(68)39-21-18-36-23-25-43(42(36)27-39)60-52(69)44-30-47(73-62-44)38-22-24-41(46(66)28-38)54(71)63(6)7/h16-22,24,27-28,30,32-33,40,43,45,50,65-66H,8-15,23,25-26,29,31H2,1-7H3,(H,57,68)(H,59,70)(H,60,69)(H,61,67)/t33-,40+,43+,45-,50+/m0/s1
        Canonical SMILES
        CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCNC(=O)C4=CC5=C(CC[C@H]5NC(=O)C6=NOC(=C6)C7=CC(=C(C=C7)C(=O)N(C)C)O)C=C4)O
Bio Calculators
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L

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
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