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SIM1

Cat. No. 7432 Submit a Review Datasheet / COA / SDS
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Description: Potent and selective trivalent BET Bromodomain Degrader (PROTAC®)
Chemical Name: N,N'-(11-((2-(((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-2-oxoethoxy)methyl)-11-methyl-3,6,9,13,16,19-hexaoxahenicosane-1,21-diyl)bis(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide)
Purity: ≥98% (HPLC)
Datasheet
Citations
Reviews
Literature (2)
Biological Activity Technical Data Solubility Calculators Datasheets References

Biological Activity for SIM1

SIM1 is a potent and selective trivalent PROTAC® Degrader based on BET bromodomain inhibitors linked to a Von Hippel Lindau (VHL) ligand via branched linkers. SIM1 degrades all BET family proteins with a preference for BRD2 (DC50 values = 0.7 nM, 1.1 nM and 3.3 nM for BRD4, BRD2 and BRD3, respectively). SIM1 degrades BRD2 more significantly and rapidly than BRD3 and BRD4, and degrades BET proteins with a higher potency than a bivalent degrader. SIM1 also decreases protein levels for Myc and HMOX1 and induces apoptosis in prostate cancer cells.

Licensing Information

Sold under licence from the University of Dundee

Technical Data for SIM1

M. Wt 1618.82
Formula C79H98Cl2N14O13S3
Storage Store at -20°C
Purity ≥98% (HPLC)
CAS Number 2719051-84-8
PubChem ID 156022820
InChI Key RARNTROXRCXFHV-CMRSQZKGSA-N
Smiles CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(C)(COCCOCCOCCNC(=O)C[C@@H]1N=C(C3=C(SC(C)=C3C)N3C(C)=NN=C13)C1=CC=C(Cl)C=C1)COCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1)C(C)(C)C)N=C2C1=CC=C(Cl)C=C1

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

Tocris products are intended for laboratory research use only, unless stated otherwise.

Solubility Data for SIM1

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 80.94 50

Preparing Stock Solutions for SIM1

The following data is based on the product molecular weight 1618.82. Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
0.5 mM 1.24 mL 6.18 mL 12.35 mL
2.5 mM 0.25 mL 1.24 mL 2.47 mL
5 mM 0.12 mL 0.62 mL 1.24 mL
25 mM 0.02 mL 0.12 mL 0.25 mL

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References for SIM1

References are publications that support the biological activity of the product.

Imaide et al (2021) Trivalent PROTACs enhance protein degradation via combined avidity and cooperativity Nat.Chem.Biol. 17 1157 PMID: 34675414

If you know of a relevant reference for SIM1, please let us know.

View Related Products by Target

Keywords: SIM1, SIM1 supplier, targeted, protein, degradation, degraders, trivalent, VHL, von, hippel, lindau, E3, ligases, bromodomains, PROTAC, BET, BRD2, Bromodomain, (BRD), Degraders, 7432, Tocris Bioscience

Citations for SIM1

Citations are publications that use Tocris products.

Currently there are no citations for SIM1. Do you know of a great paper that uses SIM1 from Tocris? Please let us know.

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Literature in this Area

Tocris offers the following scientific literature in this area to showcase our products. We invite you to request* your copy today!

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TPD and Induced Proximity Research Product Guide

TPD and Induced Proximity Research Product Guide

This brochure highlights the tools and services available from Bio-Techne to support your Targeted Protein Degradation and Induced Proximity research, including:

  • Active Degraders
  • TAG Degradation Platform
  • Degrader Building Blocks
  • Assays for Protein Degradation
  • Induced Proximity Tools
Targeted Protein Degradation Poster

Targeted Protein Degradation Poster

Degraders (e.g. PROTACs) are bifunctional small molecules, that harness the Ubiquitin Proteasome System (UPS) to selectively degrade target proteins within cells. They consist of three covalently linked components: an E3 ubiquitin ligase ligand, a linker and a ligand for the target protein of interest. Authored in-house, this poster outlines the generation of a toolbox of building blocks for the development of Degraders. The characteristics and selection of each of these components are discussed. Presented at EFMC 2018, Ljubljana, Slovenia