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BI 639667

Name: BI 639667
Brand: TargetMol
SKU: T14899
Price: 117 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T14899Cas No. 1295298-26-8

Alias CCR1 antagonist8, CCR1 antagonist 8, BI639667

BI 639667, a compound belonging to the azaindazole class, functions as a potent inhibitor of CCR1 activity, a property quantitatively demonstrated by its half-maximal inhibitory concentration (IC50) of 1.8 nM in standardized calcium flux assays.

BI 639667

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Purity: 99.86%

Catalog No. T14899Alias CCR1 antagonist8, CCR1 antagonist 8, BI639667Cas No. 1295298-26-8

Pack Size	Price	USA Warehouse	Global Warehouse
1 mg	$117	-	In Stock
5 mg	$289	-	In Stock
10 mg	$496	-	In Stock
25 mg	$932	-	In Stock
50 mg	$1,380	-	In Stock
1 mL x 10 mM (in DMSO)	$318	-	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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Purity:99.86%

Appearance:Solid

Color:White

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COA LCMS HNMR

Product Introduction

Bioactivity

Description	BI 639667, a compound belonging to the azaindazole class, functions as a potent inhibitor of CCR1 activity, a property quantitatively demonstrated by its half-maximal inhibitory concentration (IC50) of 1.8 nM in standardized calcium flux assays.
Targets&IC50	CCR1:1.8 nM
In vitro	Methods: Venlafaxine and paroxetine, which are marketed for the treatment of depression, were selected as positive drugs for affinity comparison. Molecular docking studies were performed using IL1R1 (PDB ID: 4gaf) and CCR1 antagonist 8 (BI 639667) to evaluate their binding energy with IL1R1, and further visualization was achieved through docking simulation with ILIRI. Results: BI 639667 exhibited the lowest binding energy; the root mean square deviation (RMSD) Results showed that the fluctuation of the system was within 0.1 nm, indicating that the system had strong stability. The solvent accessible surface area (SASA) showed that the binding of BI 639667 had little effect on the structure of IL1R1. Further calculations of the hydrogen bond contacts between BI 639667 and IL1R1 were consistent with the docking Results, and the complex was able to form stable hydrogen bonds. [2]
Synonyms	CCR1 antagonist8, CCR1 antagonist 8, BI639667

Chemical Properties

Molecular Weight	451.47
Formula	C₂₂H₁₈FN₅O₃S
Cas No.	1295298-26-8
Smiles	O=C(NC1(C=2C=CN=C(C2)S(=O)(=O)C)CC1)C3=CN=CC4=C3C=NN4C5=CC=C(F)C=C5
Relative Density.	1.51 g/cm3 (Predicted)

Storage & Solubility Information

Storage

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

Solubility Information

DMSO: 8 mg/mL (17.72 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween-80+45% Saline: 0.5 mg/mL (1.11 mM), Sonication is recommended.

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	2.2150 mL	11.0749 mL	22.1499 mL	110.7493 mL
5 mM	0.4430 mL	2.2150 mL	4.4300 mL	22.1499 mL
10 mM	0.2215 mL	1.1075 mL	2.2150 mL	11.0749 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 stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

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