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IBC 293

Alias: IBC-293; IBC293; IBC 293
Cat No.:V22370 Purity: ≥98%
GPR109 receptor agonist (activator)-1 (Compound 3a) is a selective agonist of the human orphan G protein-coupled receptor GPR109b with pEC50 of 6.4.
IBC 293
IBC 293 Chemical Structure CAS No.: 306935-41-1
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
GPR109 receptor agonist (activator)-1 (Compound 3a) is a selective agonist of the human orphan G protein-coupled receptor GPR109b with pEC50 of 6.4. GPR109 receptor agonist (activator)-1 may be utilized in the research/study of cardiometabolic diseases.
IBC 293 (also known as GPR109 receptor agonist-1 or Compound 3a) is a cell-permeable small molecule characterized as a highly selective agonist of the human orphan G protein-coupled receptor GPR109B (also known as HM74 or HCAR3). It is a 1-alkyl-benzotriazole-5-carboxylic acid derivative. IBC 293 shows higher selectivity for GPR109B over the niacin receptor GPR109A. It has an EC50 value of 400 nM for GPR109B. It is used in research on cardiac metabolic diseases.
Biological Activity I Assay Protocols (From Reference)
Targets
IBC 293 targets the human orphan G protein-coupled receptor GPR109B (HM74/HCAR3), which is expressed in adipocytes. It acts as a highly selective agonist of this receptor, with an EC50 of 400 nM. It shows higher selectivity for GPR109B over GPR109A. By activating GPR109B, IBC 293 inhibits forskolin- and isoproterenol-stimulated cAMP accumulation in CHO cells expressing GPR109B and in human adipocytes. This receptor is involved in the regulation of lipolysis and other metabolic processes.
ln Vitro
IBC 293 is a selective agonist of GPR109B with an EC50 of 400 nM. It inhibits forskolin- and isoproterenol-stimulated cAMP accumulation in CHO cells expressing GPR109B and in human adipocytes. Its activity has been confirmed in various in vitro assays. It is a cell-permeable compound that can activate GPR109B-mediated signaling in cellular models. It shows higher selectivity for GPR109B over GPR109A.
ln Vivo
IBC 293 is used in research on cardiac metabolic diseases. Its ability to activate GPR109B and modulate cAMP signaling suggests potential therapeutic applications in metabolic disorders. However, detailed in vivo efficacy data in animal models is limited. The compound is primarily used as a research tool to study the GPR109B signaling pathway and its role in metabolism.
Enzyme Assay
The primary in vitro assay for IBC 293 is a cAMP accumulation assay using cells expressing GPR109B, such as CHO cells or human adipocytes. Cells are treated with the compound, and the levels of cAMP are measured using ELISA or a homogeneous time-resolved fluorescence (HTRF) assay. The EC50 of 400 nM is determined from dose-response curves. Radioligand binding assays can also be used to measure its affinity for GPR109B.
Cell Assay
In vitro cellular experiments for IBC 293 involve treating cells expressing GPR109B, such as CHO cells or human adipocytes, with the compound and measuring its effects on cAMP accumulation. The inhibition of forskolin- or isoproterenol-stimulated cAMP production is assessed. Its effects on downstream signaling pathways, such as MAPK or AKT, can also be evaluated.
Animal Protocol
In vivo animal experiments for IBC 293 are not extensively detailed in the available literature. As a GPR109B agonist, it could be evaluated in animal models of metabolic diseases, such as obesity, diabetes, or dyslipidemia. Its effects on lipid metabolism, glucose homeostasis, and inflammation would be assessed. Its pharmacokinetic properties and safety profile would also be evaluated.
ADME/Pharmacokinetics
IBC 293 has a molecular weight of 205.2 g/mol and a molecular formula of C10H11N3O2. It is a cell-permeable small molecule. It is soluble in DMSO. It is typically used as a research reagent and is stored as a powder at -20°C for long-term stability. Its purity is typically ≥98%.
Toxicity/Toxicokinetics
IBC 293 is a research compound that is not intended for human use. Its toxicological profile is not extensively characterized in the available literature. As with all research chemicals, standard safety precautions should be followed when handling. Its safety would need to be established for therapeutic applications.
References

[1]. 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. J Med Chem. 2006 Feb 23;49(4):1227-30.

Additional Infomation
1-Prop-2-yl-5-benzotriazole carboxylic acid is a type of benzotriazole compound.
IBC 293 is a cell-permeable, highly selective agonist of the human orphan G protein-coupled receptor GPR109B (HM74/HCAR3) with an EC50 of 400 nM. It shows higher selectivity for GPR109B over GPR109A. IBC 293 inhibits forskolin- and isoproterenol-stimulated cAMP accumulation in cells expressing GPR109B and in human adipocytes. It is used in research on cardiac metabolic diseases.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H11N3O2
Molecular Weight
205.22
Exact Mass
205.085
CAS #
306935-41-1
PubChem CID
2736690
Appearance
Off-white to light yellow solid powder
Density
1.4±0.1 g/cm3
Boiling Point
413.9±18.0 °C at 760 mmHg
Melting Point
229-230ºC
Flash Point
204.1±21.2 °C
Vapour Pressure
0.0±1.0 mmHg at 25°C
Index of Refraction
1.655
LogP
2.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Heavy Atom Count
15
Complexity
257
Defined Atom Stereocenter Count
0
InChi Key
RUTVRAJKELSHCC-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
Chemical Name
1-propan-2-ylbenzotriazole-5-carboxylic acid
Synonyms
IBC-293; IBC293; IBC 293
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~487.31 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.18 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (12.18 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (12.18 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 4.8728 mL 24.3641 mL 48.7282 mL
5 mM 0.9746 mL 4.8728 mL 9.7456 mL
10 mM 0.4873 mL 2.4364 mL 4.8728 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.

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

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