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SIM-688

Name: SIM-688
Brand: TargetMol
SKU: T17252
Price: 152 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T17252Cas No. 796854-35-8

Alias SIM688

SIM-688 is a selective and orally active estrogen receptor inhibitor of NF-κB transcriptional activity (IC50 = 122 nM in HAECT-1 cells).

SIM-688

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Purity: 99.56%

Catalog No. T17252Alias SIM688Cas No. 796854-35-8

SIM-688 is a selective and orally active estrogen receptor inhibitor of NF-κB transcriptional activity (IC50 = 122 nM in HAECT-1 cells).

Pack Size	Price	USA Warehouse	Global Warehouse
1 mg	$152	-	In Stock
5 mg	$378	-	In Stock
10 mg	$612	-	In Stock
25 mg	$1,220	-	In Stock
50 mg	$1,960	-	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Batch Information

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Purity:99.56%

Resource Download

COA HNMR LCMS

Product Introduction

Bioactivity

Description	SIM-688 is a selective and orally active estrogen receptor inhibitor of NF-κB transcriptional activity (IC50 = 122 nM in HAECT-1 cells).
Targets&IC50	NF-κB-luc:122 nM （in HAECT-1 cell), NF-κB:
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)[1].
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 [1].
Synonyms	SIM688

Chemical Properties

Molecular Weight	556.62
Formula	C₃₄H₃₁F₃N₂O₂
Cas No.	796854-35-8
Smiles	COc1ccccc1[C@H](c1cccc2ccccc12)[C@@](C)(C#N)C(=O)N1CCC(CC1)c1cccc(c1)C(F)(F)F
Relative Density.	1.231 g/cm3 (Predicted)

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 90 mg/mL (161.69 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+90% Corn Oil: 3.3 mg/mL (5.93 mM), Sonication is recommeded.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	1.7966 mL	8.9828 mL	17.9656 mL	89.8279 mL
5 mM	0.3593 mL	1.7966 mL	3.5931 mL	17.9656 mL
10 mM	0.1797 mL	0.8983 mL	1.7966 mL	8.9828 mL
20 mM	0.0898 mL	0.4491 mL	0.8983 mL	4.4914 mL
50 mM	0.0359 mL	0.1797 mL	0.3593 mL	1.7966 mL
100 mM	0.0180 mL	0.0898 mL	0.1797 mL	0.8983 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the mother liquor preparation method and in vivo formula preparation method:

For example, your dosage is 10 mg/kg Each animal weighs 20 g, and the dosage volume is 100 μL . TargetMol | Animal experiments

A total of 10 animals were administered, and the formula you used is 5% TargetMol | reagent

DMSO+30% PEG300+5% Tween 80+60% Saline/PBS/ddH₂O. So your working solution concentration is 2 mg/mL。

Mother liquor preparation method: 2 mg of drug dissolved in 50 μL DMSO TargetMol | reagent

(mother liquor concentration of 40 mg/mL), if you need to configure a concentration that exceeds the solubility of the product, please contact us first.

Preparation method for in vivo formula: Take 50 μL DMSO TargetMol | reagent

main solution, add 300 μLPEG300 TargetMol | reagent

mix well and clarify, then add 50 more μL Tween 80, mix well and clarify, then add 600 more μLSaline/PBS/ddH₂O TargetMol | reagent

mix well and clarify

For Reference Only. Please develop an appropriate dissolution method based on your laboratory animals and route of administration.

All types of co-solvents required for the protocol, such asDMSO, PEG300/ PEG400, Tween 80, SBE-β-CD, corn oil are available for purchase on the TargetMol website with a simple click.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc