SIM1

• Description:

  SIM1 is a potent von Hippel-Lindau (VHL) -based trivalent PROTAC capable of degradation for all BET family members, with preference for BRD2 degradation (IC50=1.1 nM; Kd=186 nM) . SIM1 shows sustained anti-cancer activity[1].

• UNSPSC:

  12352005

• Target:

  Epigenetic Reader Domain; PROTACs

• Type:

  Reference compound

• Related Pathways:

  Epigenetics; PROTAC

• Applications:

  Cancer-programmed cell death

• Field of Research:

  Cancer

• Assay Protocol:

  https://www.medchemexpress.com/sim1.html

• Purity:

  99.57

• Solubility:

  DMSO : 100 mg/mL (ultrasonic)

• 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

• Molecular Formula:

  C79H98Cl2N14O13S3

• Molecular Weight:

  1618.81

• References & Citations:

  [1]Satomi Imaide, et al. Trivalent PROTACs enhance protein degradation through cooperativity and avidity. Biological and Medicinal Chemistry.

• Shipping Conditions:

  Blue Ice

• Storage Conditions:

  -20°C (Powder, protect from light, stored under nitrogen)

• Scientific Category:

  Reference compound1

• Clinical Information:

  No Development Reported

• Isoform:

  BRD2; BRD3; BRD4

• CAS Number:

  [2719051-84-8]