PROTAC RAR Degrader-1

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Size

Price

Stock

Quantity

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In stock

Solubility

10 mM in DMSO

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Shipping

Room temperature in continental US; may vary elsewhere

IUPACName

2-[3-[[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]propoxy]-4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid

Synonyms

Benzoic acid, 2-[[(18S,21S,22R)-22-amino-21-hydroxy-18-(2-methylpropyl)-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricos-1-yl]oxy]-4-[(1E)-3-[3,5-bis(1,1-dimethylethyl)phenyl]-3-oxo-1-propen-1-yl]-; 2-[[(18S,21S,22R)-22-Amino-21-hydroxy-18-(2-methylpropyl)-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricos-1-yl]oxy]-4-[(1E)-3-[3,5-bis(1,1-dimethylethyl)phenyl]-3-oxo-1-propen-1-yl]benzoic acid; 2-(((18S,21S,22R)-22-Amino-21-hydroxy-18-isobutyl-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricosyl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid

Boiling Point

1079.7±65.0°C at 760 Torr

Density

1.160±0.06 g/cm3

InChI Key

ZAOSGDCLGNWLSI-ACALULJJSA-N

InChI

InChI=1S/C51H72N4O11/c1-34(2)27-42(55-48(60)46(58)41(52)28-35-13-10-9-11-14-35)47(59)54-20-22-63-23-24-64-25-26-65-33-45(57)53-19-12-21-66-44-29-36(15-17-40(44)49(61)62)16-18-43(56)37-30-38(50(3,4)5)32-39(31-37)51(6,7)8/h9-11,13-18,29-32,34,41-42,46,58H,12,19-28,33,52H2,1-8H3,(H,53,57)(H,54,59)(H,55,60)(H,61,62)/b18-16+/t41-,42+,46+/m1/s1

Canonical SMILES

O=C(O)C1=CC=C(C=CC(=O)C=2C=C(C=C(C2)C(C)(C)C)C(C)(C)C)C=C1OCCCNC(=O)COCCOCCOCCNC(=O)C(NC(=O)C(O)C(N)CC=3C=CC=CC3)CC(C)C

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.

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂