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ATIC-IN-1 acetate

Cat No.:V77232 Purity: ≥98%
ATIC-IN-1 (compound 14) acetate is an inhibitor targeting the dimerization of aminoimidazole carboxamide ribonucleotide convertase/inosine monophosphate cyclohydrolase (ATIC) with a Ki of 685 nM.
ATIC-IN-1 acetate
ATIC-IN-1 acetate Chemical Structure Product category: Others 13
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
Other Sizes

Other Forms of ATIC-IN-1 acetate:

  • ATIC-IN-1
Official Supplier of:
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Product Description
ATIC-IN-1 (compound 14) acetate is an inhibitor targeting the dimerization of aminoimidazole carboxamide ribonucleotide convertase/inosine monophosphate cyclohydrolase (ATIC) with a Ki of 685 nM. ATIC dimerization is critical for its aminoimidazole carboxamide ribonucleotide (AICAR) converting enzyme activity. ATIC-IN-1 acetate displays anticancer effect by reducing cell number and cell division rate.
ATIC-IN-1 acetate (compound 14) is a specific inhibitor targeting the dimerization of aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC), a bifunctional enzyme in the de novo purine biosynthesis pathway. It has a Ki of 685 nM for ATIC dimerization and exhibits anticancer effects by reducing cell numbers and cell division rates.
Biological Activity I Assay Protocols (From Reference)
Targets
ATIC-IN-1 acetate targets ATIC dimerization, which is essential for its aminoimidazole carboxamide ribonucleotide (AICAR) transformylase activity. By inhibiting dimerization, the compound disrupts ATIC function in the purine biosynthesis pathway. It has a Ki of 685 nM.
ln Vitro
In the presence or absence of 1 mg/mL and 10 mg/mL BSA, ATIC-IN-1 acetate (10 μM, 50 μM) is a selective inhibitor that displays a nonspecific aggregation mechanism [1]. The growth of MCF-7 cells is inhibited by ATIC-IN-1 acetate (100-500 μM; 48 h) [1]. Instead of increasing cell death, ATIC-IN-1 acetate (250 μM; 24-72 hours) resulted in reduced division [1].
In vitro, ATIC-IN-1 acetate (10 μM, 50 μM) is a specific inhibitor and shows nonspecific aggregate mechanism in the presence of 1 mg/mL and 10 mg/mL BSA. It inhibits the growth of MCF-7 cells at concentrations of 100-500 μM for 48 hours. Instead of increasing cell death, ATIC-IN-1 acetate (250 μM; 24-72 hours) results in reduced division.
ln Vivo
Specific in vivo activity data for ATIC-IN-1 acetate are not detailed in available sources. As an inhibitor of purine biosynthesis with anticancer effects in vitro, it may have potential for in vivo studies in cancer models.
Enzyme Assay
Non-cellular enzyme assays for ATIC-IN-1 acetate involve measuring its ability to inhibit ATIC dimerization. The compound is incubated with purified ATIC protein, and the inhibition of dimerization is quantified using biophysical techniques such as size exclusion chromatography or surface plasmon resonance.
Cell Assay
In vitro cellular assays for ATIC-IN-1 acetate are performed using cancer cell lines such as MCF-7 breast cancer cells. Cells are treated with varying concentrations of the compound, and cell growth and division are assessed to evaluate its anticancer effects.
Animal Protocol
In vivo animal experiments for ATIC-IN-1 acetate would typically be conducted in mouse xenograft models using cancer cell lines sensitive to ATIC inhibition. The compound would be administered via appropriate routes, and tumor growth inhibition would be the primary endpoint.
ADME/Pharmacokinetics
Pharmacokinetic properties for ATIC-IN-1 acetate are not detailed in available sources. As a small molecule inhibitor, its PK would be influenced by factors such as solubility, metabolic stability, and bioavailability.
Toxicity/Toxicokinetics
Toxicological data for ATIC-IN-1 acetate are not provided in available sources. As a research compound, its safety profile has not been extensively characterized. It is intended for research use only and not for human consumption.
References

[1]. Targeting tumour proliferation with a small-molecule inhibitor of AICAR transformylase homodimerization. Chembiochem. 2012 Jul 23;13(11):1628-34.

Additional Infomation
ATIC-IN-1 acetate (compound 14) is a specific inhibitor of ATIC dimerization with a Ki of 685 nM. It exhibits anticancer effects by reducing cell numbers and division rates. It is supplied for research purposes only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H37N7O7
Molecular Weight
523.58
Related CAS #
ATIC-IN-1;1402453-15-9
Appearance
White to off-white solid powder
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

Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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)
H2O :~50 mg/mL (~95.50 mM)
DMSO :~50 mg/mL (~95.50 mM)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.9099 mL 9.5496 mL 19.0993 mL
5 mM 0.3820 mL 1.9099 mL 3.8199 mL
10 mM 0.1910 mL 0.9550 mL 1.9099 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • The answer appears in the Volume (to add to vial) box
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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