Size | Price | Stock | Qty |
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10mg |
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25mg |
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50mg |
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100mg |
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250mg |
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Purity: ≥98%
WAY-204688 (WAY204688; WAY 204688; SIM688; SIM-688) is a novel, potent, selective and orally bioactive agonist of estrogen receptor (ER-α) and also an inhibitor of NF-κB transcriptional activity with anti-inflammatory effects. It inhibits NF-κB-luciferase (NF-κB-luc) with an IC50 of 122 ± 30 nM in HAECT-1 cells. WAY-204688 has the potential to be used for the treatment of rheumatoid arthritis.
ln Vitro |
WAY-204688 is ER-dependent; in human aortic endothelial cell lines (HAECT-1), it is only active when hER is coexpressed with NF-κB-luciferase. In vitro tests are performed to investigate WAY-204688's interactions with ERα and ERβ. WAY-204688 extracts [3H]E2 with an IC50 of 2.43 μM from the ERα ligand binding domain protein (LBD) and with an IC50 of 1.5 μM from the ERβ ligand binding domain protein (LBD)[1].
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ln Vivo |
The effectiveness of WAY-204688 (5 mg/kg per day, po daily for 5 weeks) to inhibit the four proinflammatory genes (MHC, invariant chain (MHI), VCAM-1, RANTES, and TNF-α) is assessed in vivo. WAY-204688's impact on uterine wet weight and gene product induction is contrasted with that of 17α-ethinyl 17β-estradiol (EE at 10 μg/kg daily) using the identical paradigm. WAY-204688 is being further characterized in a number of preclinical models of inflammatory illness. WAY-204688 is effective in the adjuvant-induced arthritis model (AIA) in Lewis rats when administered at a dose of 0.3 mg/kg daily, po[1].
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References |
[1]. Caggiano TJ, et al. Estrogen receptor dependent inhibitors of NF-kappaB transcriptional activation-1 synthesis and biological evaluation of substituted 2-cyanopropanoic acid derivatives: pathway selective inhibitors of NF-kappaB, a potential treatment fo
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Molecular Formula |
C34H31F3N2O2
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Molecular Weight |
556.617359399796
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CAS # |
796854-35-8
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SMILES |
COC1=C(C=CC=C1)[C@H](C2=CC=CC3=CC=CC=C32)[C@](C(N4CCC(C5=CC=CC(C(F)(F)F)=C5)CC4)=O)(C#N)C
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InChi Key |
JZPONCMNBSEYQW-MOJIJOCKSA-N
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InChi Code |
InChI=1S/C34H31F3N2O2/c1-33(22-38,32(40)39-19-17-23(18-20-39)25-11-7-12-26(21-25)34(35,36)37)31(29-14-5-6-16-30(29)41-2)28-15-8-10-24-9-3-4-13-27(24)28/h3-16,21,23,31H,17-20H2,1-2H3/t31-,33?/m0/s1
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Chemical Name |
(2S,3S)-3-(2-methoxyphenyl)-2-methyl-3-(naphthalen-1-yl)-2-(4-(3-(trifluoromethyl)phenyl)piperidine-1-carbonyl)propanenitrile
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Synonyms |
SIM-688; WAY-204688; SIM 688; WAY204688; SIM688; WAY 204688
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO : ~100 mg/mL (~179.66 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.49 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.7966 mL | 8.9828 mL | 17.9656 mL | |
5 mM | 0.3593 mL | 1.7966 mL | 3.5931 mL | |
10 mM | 0.1797 mL | 0.8983 mL | 1.7966 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.