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hGPR91 antagonist 1

Name: hGPR91 antagonist 1
Brand: TargetMol
SKU: T11560
Price: 87 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T11560Cas No. 1314796-00-3

hGPR91 antagonist 1 is a potent and selective hGPR91 antagonist (IC50: 7 nM).

hGPR91 antagonist 1

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Purity: 98.89%

Catalog No. T11560Cas No. 1314796-00-3

hGPR91 antagonist 1 is a potent and selective hGPR91 antagonist (IC50: 7 nM).

Pack Size	Price	USA Warehouse	Global Warehouse
1 mg	$87	In Stock	In Stock
5 mg	$213	In Stock	In Stock
10 mg	$313	In Stock	In Stock
25 mg	$533	In Stock	In Stock
50 mg	$728	In Stock	In Stock
100 mg	$987	In Stock	In Stock
1 mL x 10 mM (in DMSO)	$235	In Stock	In Stock

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

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Purity:98.89%

Appearance:Solid

Color:White

Resource Download

COA LCMS HNMR

Product Introduction

Bioactivity

Description	hGPR91 antagonist 1 is a potent and selective hGPR91 antagonist (IC50: 7 nM).
Targets&IC50	GPR91 (human):7 nM
In vivo	GPR91, a 7TM G-Protein-Coupled Receptor, has been recently deorphanized with succinic acid as its endogenous ligand.Current literature indicates that GPR91 plays role in various pathophysiology including renal hypertension, autoimmune disease and retinal angiogenesis.Starting from a small molecule high-throughput screening hit 1 (hGPR91 IC(50): 0.8 μM)-originally synthesized in Merck for Bradykinin B(1) Receptor (BK(1)R) program, systematic structure-activity relationship study led us to discover potent and selective hGPR91 antagonists e.g. 2c, 4c, and 5 g (IC(50): 7-35 nM;>1000 fold selective against hGPR99, a closest related GPCR;>100 fold selective in Drug Matrix screening).Led to identification of two structurally distinct and orally bio-available lead compounds: 5g (%F: 26) and 7e (IC(50): 180 nM;>100 fold selective against hGPR99;%F: 87).

Chemical Properties

Molecular Weight	529.53
Formula	C₃₁H₂₃F₄N₃O
Cas No.	1314796-00-3
Smiles	C(C(N[C@@H](C)C1=CC=C(C=C1)C2=CC(C(F)(F)F)=C(F)C=C2)=O)C3=CC=C(C4=NC5=C(C=C4)C=CC=N5)C=C3
Relative Density.	1.286 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: 37.5 mg/mL (70.82 mM), Sonication is recommended.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	1.8885 mL	9.4423 mL	18.8847 mL	94.4234 mL
5 mM	0.3777 mL	1.8885 mL	3.7769 mL	18.8847 mL
10 mM	0.1888 mL	0.9442 mL	1.8885 mL	9.4423 mL
20 mM	0.0944 mL	0.4721 mL	0.9442 mL	4.7212 mL
50 mM	0.0378 mL	0.1888 mL	0.3777 mL	1.8885 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