SIM1
Tocris Bioscience, part of Bio-Techne | Catalog # 7432
Potent and selective trivalent BET Bromodomain Degrader (PROTAC®)
Key Product Details
Description
Potent and selective trivalent BET Bromodomain Degrader (PROTAC®)
Product Description
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 DundeeProduct Specifications
Molecular Weight
1618.82
Formula
C79H98Cl2N14O13S3
Storage
Store at -20°C
Purity
≥98% (HPLC)
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)
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.
Solubility
| 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 all 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 |
Calculators
Molarity Calculator
Dilution Calculator
Reconstitution Calculator
Background References
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
Product Specific Notices for SIM1
For research use only
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