Fig. 1 · Structure
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SIM1
PROTAC BET Degrader
SIM1 is a highly potent von Hippel-Lindau (VHL)-based trivalent PROTAC that specifically targets the degradation of BET family proteins, with a notable preference for BRD2 (IC50=1.1 nM; Kd=186 nM). This compound has demonstrated sustained anti-cancer activity, making it a valuable tool for researchers investigating the roles of BET proteins in oncogenesis and other related biological pathways. Its application in PROTAC-mediated protein degradation provides unique avenues for therapeutic intervention in cancers driven by BET overexpression.
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Specifications
| Manufacturer | Adooq Bioscience |
|---|---|
| Actions | Degrader |
| CAS Number | 2719051-84-8 |
| Applications | PROTAC BET Degrader |
| Formula | C79H98Cl2N14O13S3 |
| Molecular Weight | 1618.81 |
| SMILES | CC1=C(C(C(C2=CC=C(C=C2)Cl)=N[C@@H](CC(NCCOCCOCCOCC(C)(COCCOCCOCCNC(C[C@@H]3N=C(C4=C(N5C3=NN=C5C)SC(C)=C4C)C6=CC=C(C=C6)Cl)=O)COCC(N[C@H](C(N7[C@@H](C[C@H](C7)O)C(NCC8=CC=C(C=C8)C9=C(N=CS9)C)=O)=O)C(C)(C)C)=O)=O)C%10=NN=C(C)N%11%10)=C%11S1)C |
Storage & Solubility
In Vitro Solubility
Reported Solubility
No reported solubility data are available for this product.
Preparing Stock Solutions
| Concentration | |
|---|---|
Values use four significant digits. Prepare to the final solution volume; this is not the volume of solvent to add.
Stock preparation is unavailable for this product molecular weight.
Calculated stock concentrations do not establish solvent solubility. Refer to the reported solubility data for experimental guidance.
Storage
Store powder at -20°C, keep desiccated.
In powder form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 1 month to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.