WAY-204688 (Synonyms: SIM-688)

Cat. No.: HY-19498 Purity: 99.06%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

WAY-204688 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.

For research use only. We do not sell to patients.

WAY-204688 Chemical Structure

CAS No. : 796854-35-8

Size	Price	Stock	Quantity
5 mg	USD 460	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 740	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 1480	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 2375	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 3800	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

or Bulk Inquiry

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All NF-κB Isoform Specific Products:

View All Isoforms

NF-κB NF-κB1/p50 RelA/p65 RelB c-Rel

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

NF-κB-luc

122 nM (IC₅₀, in HAECT-1 cell)

NF-κB

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^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

556.62

Formula

C₃₄H₃₁F₃N₂O₂

CAS No.

796854-35-8

Appearance

Solid

Color

White to off-white

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

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (179.66 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	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

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (4.49 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.89%

Select Batch:

Data Sheet (276 KB) SDS (251 KB)

COA (252 KB) HNMR (103 KB) LCMS (126 KB)

Handling Instructions (2659 KB)

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 for rheumatoid arthritis. J Med Chem. 2007 Nov 1;50(22):5245-8. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.7966 mL	8.9828 mL	17.9656 mL	44.9139 mL
	5 mM	0.3593 mL	1.7966 mL	3.5931 mL	8.9828 mL
	10 mM	0.1797 mL	0.8983 mL	1.7966 mL	4.4914 mL
	15 mM	0.1198 mL	0.5989 mL	1.1977 mL	2.9943 mL
	20 mM	0.0898 mL	0.4491 mL	0.8983 mL	2.2457 mL
	25 mM	0.0719 mL	0.3593 mL	0.7186 mL	1.7966 mL
	30 mM	0.0599 mL	0.2994 mL	0.5989 mL	1.4971 mL
	40 mM	0.0449 mL	0.2246 mL	0.4491 mL	1.1228 mL
	50 mM	0.0359 mL	0.1797 mL	0.3593 mL	0.8983 mL
	60 mM	0.0299 mL	0.1497 mL	0.2994 mL	0.7486 mL
	80 mM	0.0225 mL	0.1123 mL	0.2246 mL	0.5614 mL
	100 mM	0.0180 mL	0.0898 mL	0.1797 mL	0.4491 mL

WAY-204688 Related Classifications

Inflammation/Immunology

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

WAY-204688796854-35-8SIM-688WAY204688WAY 204688SIM688SIM 688NF-κBNuclear factor-κBNuclear factor-kappaBInhibitorinhibitorinhibit

Your Recently Viewed Products:

Product Name

Salutation

Applicant Name *

Email Address *

Phone Number *

Organization Name *

Department *

Requested quantity *

Country or Region *

Remarks