SIM1

Name: SIM1
Brand: Tocris Bioscience
SKU: 7432

Tocris Bioscience, part of Bio-Techne | Catalog # 7432

COA / SDS

Potent and selective trivalent BET Bromodomain Degrader (PROTAC®)

Key Product Details

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)
Molecular Weight:	1618.82

View Full Technical Details for SIM1

Technical Data
Citations

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 for SIM1

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
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.

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 Trivalent PROTACs enhance protein degradation via combined avidity and cooperativity Nat.Chem.Biol. 2021 PMID: 34675414