WAY-204688 free base · Synonyms: SIM-688
WAY-204688 is an estrogen receptor selective, orally active inhibitor of NF-κB transcriptional activity.
For research use only. Not for human or veterinary use.
WAY-204688 structure
CAS No.: 796854-35-8
Pack sizes & pricing
| Size | Price | SKU | Stock | |
|---|---|---|---|---|
| 25 mg | USD 1,150.00 | BP-02234-25mg | In stock | Get quote |
| 50 mg | USD 1,650.00 | BP-02234-50mg | In stock | Get quote |
| 100 mg | USD 2,250.00 | BP-02234-100mg | In stock | Get quote |
| 250 mg | USD 2,950.00 | BP-02234-250mg | In stock | Get quote |
| 500 mg | Inquire | BP-02234-500mg | In stock | Inquire |
| 1 g | Inquire | BP-02234-1g | In stock | Inquire |
Need another size or custom synthesis? Request a quote.
Description
WAY-204688 (SIM-688) is an estrogen receptor (ER-α) selective, orally active inhibitor of NF-κB transcriptional activity with an IC50 of 122 ± 30 nM for NF-κB-luciferase (NF-κB-luc) in HAECT-1 cells.
Biological activity
In Vitro WAY-204688 is ER-dependenrt (activity seen only when hER is coexpressed with NF-κB-luciferase in human aortic endothelial cell lines (HAECT-1) cells). The interaction of WAY-204688 with ERα and ERβ is examined in vitro. WAY-204688 displaces [3H]E2 from the ERα ligand binding domain protein (LBD) with IC50=2.43 μM and from the ERβ ligand binding domain protein (LBD) with IC50=1.5 μM. In Vivo WAY-204688 (5 mg/kg per day, po daily for 5 weeks) is evaluated in vivo for the ability to inhibit four proinflammatory genes (MHC, invariant chain (MHI), VCAM-1, RANTES, and TNF-α). The effect of WAY-204688 on induction of the gene products and on uterine wet weight is compared to that of 17α-ethinyl 17β-estradiol (EE at 10 μg/kg per day) in the same paradigm. Further characterization of WAY-204688 is carried out in several preclinical models of inflammatory disease. In the Lewis rat adjuvant-induced arthritis model (AIA), WAY-204688 is active at a dose of 0.3 mg/kg per day, po.
Identifiers
- SMILES
-
COC1=C([C@H](C2=CC=CC3=C2C=CC=C3)[C@@](C)(C#N)C(N4CCC(C5=CC(C(F)(F)F)=CC=C5)CC4)=O)C=CC=C1 - InChIKey
-
JZPONCMNBSEYQW-CQTOTRCISA-N
Specifications
- MW (average)
- 556.6173
- Formula
- C34H31F3N2O2
- CAS No.
- 796854-35-8
- Physical state
- Solid
- Color
- White to off-white
- Shipping
- Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
- Storage
- Powder -20℃ 3 years; In solvent -20℃ 1 month;
Solubility
Soluble in DMSO
- In vitro
- DMSO : 100 mg/mL