PROTAC ERα Degrader-2 - CAS 1351169-29-3

PROTAC ERα Degrader-2 comprises a cIAP1 ligand binding group, a linker and an estrogen receptor α (ERα) binding group. PROTAC ERα Degrader-2 is an ERα degrader. Maximal ERα degradation at 30 μM concentration in human mammary tumor MCF7 cells. Degradation inducers based on cIAP1 are called specific and non-genetic IAP-dependent protein erasers (SNIPERs).

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Molecular Formula
C42H61N5O8
Molecular Weight
763.96

PROTAC ERα Degrader-2

    • Specification
      • Solubility
        DMSO : 200 mg/mL (ultrasonic)
        Storage
        -20°C, stored under nitrogen
        *In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
        Shipping
        Room temperature in continental US; may vary elsewhere
        IUPAC Name
        (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[2-[2-[2-[[2-[(E)-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetyl]amino]ethoxy]ethoxy]ethyl]-4-methylpentanamide
        Synonyms
        Benzenebutanamide, β-amino-α-hydroxy-N-[(1S)-14-[[(E)-(3-hydroxyestra-1,3,5(10)-trien-17-ylidene)amino]oxy]-1-(2-methylpropyl)-2,13-dioxo-6,9-dioxa-3,12-diazatetradec-1-yl]-, (αS,βR)-; (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-(2-(2-(2-(2-((((8R,9S,13S,14S,E)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-ylidene)amino)oxy)acetamido)ethoxy)ethoxy)ethyl)-4-methylpentanamide; (αS,βR)-β-Amino-α-hydroxy-N-[(1S)-14-[[(E)-(3-hydroxyestra-1,3,5(10)-trien-17-ylidene)amino]oxy]-1-(2-methylpropyl)-2,13-dioxo-6,9-dioxa-3,12-diazatetradec-1-yl]benzenebutanamide
    • Properties
      • Density
        1.29±0.1 g/cm3
        InChI Key
        MMDOSMHAAYKBET-UTCZBAMKSA-N
        InChI
        InChI=1S/C42H61N5O8/c1-27(2)23-36(46-41(52)39(50)35(43)24-28-7-5-4-6-8-28)40(51)45-18-20-54-22-21-53-19-17-44-38(49)26-55-47-37-14-13-34-33-11-9-29-25-30(48)10-12-31(29)32(33)15-16-42(34,37)3/h4-8,10,12,25,27,32-36,39,48,50H,9,11,13-24,26,43H2,1-3H3,(H,44,49)(H,45,51)(H,46,52)/b47-37+/t32-,33-,34+,35-,36+,39+,42+/m1/s1
        Canonical SMILES
        O=C(NCCOCCOCCNC(=O)C(NC(=O)C(O)C(N)CC=1C=CC=CC1)CC(C)C)CON=C2CCC3C4CCC5=CC(O)=CC=C5C4CCC23C
    • Reference Reading
      • 1. Design, synthesis and biological evaluation of nuclear receptor-degradation inducers.
        Itoh, Y., Kitaguchi, R., Ishikawa, M., Naito, M. and Hashimoto, Y., 2011. Bioorganic & medicinal chemistry, 19(22), pp.6768-6778.
        Compounds that regulate the function(s) of nuclear receptors (NRs) are useful for biological studies and as candidate therapeutic agents. Most such compounds are agonists or antagonists. On the other hand, we have developed specific protein degradation inducers, which we designated as SNIPERs (Specific and Nongenetic IAPs-dependent Protein ERasers), for selective degradation of target proteins. SNIPERs are hybrid molecules consisting of an appropriate ligand for the protein of interest, coupled to a ligand for inhibitor of apoptosis proteins (IAPs), which target the bound protein for polyubiquitination and proteasomal degradation. We considered that protein knockdown with SNIPERs would be a promising alternative approach for modulating NR function. In this study, we designed and synthesized degradation inducers targeting retinoic acid receptor (RAR), estrogen receptor (ER), and androgen receptor (AR). These newly synthesized RAR, ER, and AR SNIPERs, 9, 11, and 13, respectively, were confirmed to significantly reduce the levels of the corresponding NRs in live cells.
Bio Calculators
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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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