SIM-688

SKU: orb1307609

Description

SIM-688 is a selective, orally bioavailable small molecule that inhibits estrogen receptor-mediated NF-κB transcriptional activity, demonstrating an IC50 of 122 nM in HAECT-1 cells. This inhibitor is a valuable research tool for studying inflammatory and oncogenic signaling pathways in both cellular and animal models.

Research Area

Metabolism Research, Signal Transduction

Key Properties

• CAS Number: 796854-35-8
• MW: 556.62
• Purity: 99.56% (May vary between batches)
• Formula: C₃₄H₃₁F₃N₂O₂
• SMILES: COc1ccccc1[C@H](c1cccc2ccccc12)[C@@](C)(C#N)C(=O)N1CCC(CC1)c1cccc(c1)C(F)(F)F
• Target: Estrogen/progestogen Receptor,NF-κB
• Solubility: 10% DMSO+90% Corn Oil:3.3 mg/mL (5.93 mM);DMSO:90 mg/mL (161.69 mM)

Bioactivity

• Target IC50:
  NF-κB-luc:122 nM （in HAECT-1 cell)|NF-κB:
• In Vivo:
  SIM-688 (5 mg/kg per day, p.o.) inhibits pro-inflammatory genes including MHI, VCAM-1, RANTES, and TNF-α and induces the gene products and uterine wet weight. SIM-688 (0.3 mg/kg, p.o.) is active in the Lewis rat adjuvant-induced arthritis model .
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• In Vitro:
  SIM-688 displaces [3H]E2 from the ERα ligand-binding domain protein (C50=2.43 μM) and from the ERβ ligand-binding domain protein (IC50=1.5 μM).

Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

progestogen Receptor, progestogenReceptor, SIM 688, SIM688, NF-κB-luc, NF-κB, NFkB, NF-kB, NFκB, Erα, Estrogen Receptor, EstrogenReceptor

Compound Identifiers

PubChem CID

9829162