Name: PROTAC ER Degrader-2
Brand: BOC Sciences
Rating: 5 (1 reviews)

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$--

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Solubility

Soluble 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

tert-butyl N-[(2S)-1-[[(3S,4S)-5-[4-[2-[2-[2-[2-[4-[(Z)-1-[4-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]benzoyl]-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

Synonyms

PROTAC ER Degrader 2; tert-butyl ((S)-1-(((3S,4S)-5-(4-((2-(2-(2-((2-(4-((Z)-1-(4-((4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)phenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)carbamoyl)benzoyl)-7-cyano-1-((2-methoxynaphthalen-1-yl)methyl)-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)amino)-1-oxopropan-2-yl)(methyl)carbamate; L-Valyl-N5-carbamoyl-N-{4-[(4-{(1Z)-1-[4-({13-[4-({(2S,3S)-8-cyano-5-[(2-methoxy-1-naphthyl)methyl]-2-methyl-3-[(N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}carbonyl)phenyl]-3-methyl-4,13-dioxo-6,9-dioxa-3,12-diazatridec-1-yl}oxy)phenyl]-2-phenyl-1-buten-1-yl}phenoxy)methyl]phenyl}-L-ornithinamide

Density

1.3±0.1 g/cm3

InChI Key

DNJOADSQANNYAY-SCCWQXRBSA-N

InChI

InChI=1S/C89H104N12O15/c1-12-70(61-19-14-13-15-20-61)78(64-33-40-69(41-34-64)115-54-59-24-36-67(37-25-59)95-83(105)73(23-18-44-94-87(92)109)96-84(106)79(91)56(2)3)63-31-38-68(39-32-63)114-48-46-98(9)77(102)55-113-50-49-112-47-45-93-82(104)65-27-29-66(30-28-65)85(107)101-57(4)80(97-81(103)58(5)99(10)88(110)116-89(6,7)8)86(108)100(74-42-26-60(52-90)51-75(74)101)53-72-71-22-17-16-21-62(71)35-43-76(72)111-11/h13-17,19-22,24-43,51,56-58,73,79-80H,12,18,23,44-50,53-55,91H2,1-11H3,(H,93,104)(H,95,105)(H,96,106)(H,97,103)(H3,92,94,109)/b78-70+/t57-,58-,73-,79-,80-/m0/s1

SMILES

CCC(=C(C1=CC=C(C=C1)OCCN(C)C(=O)COCCOCCNC(=O)C2=CC=C(C=C2)C(=O)N3C(C(C(=O)N(C4=C3C=C(C=C4)C#N)CC5=C(C=CC6=CC=CC=C65)OC)NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C)C7=CC=C(C=C7)OCC8=CC=C(C=C8)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)N)C9=CC=CC=C9

Mechanism

Target: Targets estrogen receptor alpha (ERα) for experimental targeted protein degradation studies.

Binding Site: Binds the ERα ligand-binding domain and cereblon thalidomide-binding pocket to support productive ternary complex formation.

Mechanism of Action: PROTAC ER Degrader-2 is designed for use in PROTAC or targeted protein degradation experiments directed toward estrogen receptor alpha (ERα). The bifunctional molecule links a target-recognition element to cereblon, promoting proximity between the protein of interest and ubiquitination machinery. Productive ternary-complex formation can drive polyubiquitination and proteasome-dependent target depletion, allowing researchers to compare pharmacological inhibition with protein removal. It is suitable for evaluating degradation potency, kinetics, pathway selectivity, and downstream signaling consequences in engineered or disease-relevant cellular models.

Applications

• PROTAC-Mediated Estrogen Receptor Degradation: PROTAC ER Degrader-2 is designed to facilitate the selective degradation of estrogen receptors, offering a powerful tool for studying receptor function and signaling pathways in breast cancer research. This application enables researchers to dissect the role of estrogen receptors in disease progression through targeted protein degradation.

• Targeted Protein Degradation in Hormone-Dependent Cancers: Utilizing PROTAC ER Degrader-2 allows for the exploration of targeted degradation strategies in hormone-dependent cancers. By specifically degrading estrogen receptors, this PROTAC provides insights into therapeutic interventions and resistance mechanisms, enhancing the understanding of cancer biology.

• Investigating Protein-Protein Interactions: Through the use of PROTAC ER Degrader-2, researchers can study the dynamic interactions between estrogen receptors and their binding partners. This targeted degradation approach aids in unraveling complex protein networks and their implications in cellular signaling and regulatory processes.

• Mechanistic Studies of PROTACs: PROTAC ER Degrader-2 serves as a model compound for investigating the mechanistic aspects of PROTAC-mediated degradation. Researchers can utilize this tool to examine the kinetics, selectivity, and efficiency of targeted protein degradation, contributing to the development of next-generation PROTACs.

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* 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