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SIM1

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].

Product Specifications

CAS Number

[2719051-84-8]

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

Available Sizes

Curated Selection

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