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NSC 13138 (Cinchoninic acid (6CI,7CI,8CI); 4-Carboxyquinoline)

Cat No.:V72439 Purity: ≥98%
NSC 13138 is an endogenously produced metabolite.
NSC 13138 (Cinchoninic acid (6CI,7CI,8CI); 4-Carboxyquinoline)
NSC 13138 (Cinchoninic acid (6CI,7CI,8CI); 4-Carboxyquinoline) Chemical Structure CAS No.: 486-74-8
Product category: Endogenous Metabolite
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
Other Sizes
Official Supplier of:
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Product Description
NSC 13138 is an endogenously produced metabolite.
NSC 13138 (Cinchoninic acid; CAS: 486-74-8) is an endogenous metabolite, also known as 4-Carboxyquinoline, 4-Quinolinecarboxylic acid, and NSC 13138. It is an organic compound and a quinoline monocarboxylic acid, serving as the conjugate acid of quinoline-4-carboxylate. This compound has been identified as having biological activity and is of interest in medicinal chemistry research.
Biological Activity I Assay Protocols (From Reference)
Targets
Cinchoninic acid is an endogenous metabolite and its primary molecular target is not well-defined. It has been shown in preclinical studies to possess anti-cancer activity, particularly against L1210 leukemia and B16 melanoma, suggesting it may interfere with cancer cell proliferation pathways. Its mechanism of action is an area of active investigation, but it may involve the inhibition of specific enzymes or signaling cascades crucial for tumor cell survival.
ln Vitro
In vitro, Cinchoninic acid has demonstrated anti-tumor activity in cancer cell line models. Studies have shown that it exhibits cytotoxic effects against L1210 leukemia cells and B16 melanoma cells. This suggests that the compound can directly inhibit the growth and proliferation of these cancer cell types in a controlled laboratory setting. The specific IC50 values and detailed mechanisms are part of ongoing pharmacological research.
ln Vivo
In vivo, Cinchoninic acid has shown anti-tumor efficacy in animal models. As an endogenous metabolite, its presence is a part of normal physiology. However, pharmacological studies have administered the compound to animals to test its therapeutic potential. Results have shown that it possesses anti-tumor activity in models of leukemia and melanoma, indicating that it can slow or prevent tumor growth in a living system.
Enzyme Assay
The compound can be used in in vitro enzyme assays. It is typically first dissolved in a suitable solvent like DMSO or ethanol to prepare a stock solution. The stock is then diluted to the desired working concentration in an aqueous buffer (e.g., PBS or Tris-HCl). Researchers can use this to test its effect on purified enzymes, measuring activity via spectrophotometric, fluorometric, or other methods to determine if it acts as an inhibitor or modulator.
Cell Assay
For in vitro cellular experiments, Cinchoninic acid can be added directly to cell culture media. Cancer cell lines, such as L1210 and B16, are seeded in multi-well plates. After allowing them to adhere, the cells are treated with various concentrations of the compound. Following an incubation period (e.g., 24-72 hours), cell viability is measured using standard assays like MTT, CCK-8, or by counting cells to determine its anti-proliferative or cytotoxic effects.
Animal Protocol
For in vivo animal experiments, such as in a leukemia or melanoma model, the drug is typically administered to rodents. A specific treatment regimen is followed, which could involve intraperitoneal (IP) or intravenous (IV) injections at a defined frequency (e.g., daily or every other day). The animals' tumor growth is monitored over time (e.g., by measuring tumor volume with calipers), and survival rates are recorded to assess the compound's anti-tumor efficacy.
ADME/Pharmacokinetics
As a preclinical research compound, formal pharmacokinetic (PK) studies for Cinchoninic acid are not widely published. However, as a small aromatic carboxylic acid (MW ~173), it is likely to be absorbed after oral administration, though potentially with low bioavailability due to polarity. It would likely be widely distributed, metabolized via Phase II conjugation (e.g., glucuronidation), and eliminated renally. Its exact PK profile is an area for further investigation.
Toxicity/Toxicokinetics
The toxicological profile of Cinchoninic acid is not extensively documented in standard safety data sheets for research chemicals. As an endogenous metabolite, it is considered to have low inherent toxicity. However, like many aromatic compounds, it could cause skin, eye, and respiratory tract irritation upon direct contact. Standard laboratory safety precautions, including the use of gloves and safety glasses, are recommended to prevent any adverse effects.
Additional Infomation
Quinoline-4-carboxylic acid is a quinoline monocarboxylic acid and the conjugate acid of quinoline-4-carboxylate. Quinoline-4-carboxylic acid has been reported in Archangium, with relevant data. See also: Quinoline-4-carboxylate (note moved here).
Cinchoninic acid is not an approved pharmaceutical drug but is a research-use only chemical. It is used as a tool in pharmaceutical development, particularly in oncology research to study cancer cell biology and to screen for potential anti-cancer agents. It also serves as an analytical standard for its detection and quantification in biological samples and as an endogenous metabolite standard in metabolomics studies.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H7NO2
Molecular Weight
173.17
Exact Mass
173.047
CAS #
486-74-8
PubChem CID
10243
Appearance
White to off-white solid powder
Density
1.3±0.1 g/cm3
Boiling Point
348.7±15.0 °C at 760 mmHg
Melting Point
254-255 °C(lit.)
Flash Point
164.7±20.4 °C
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.685
LogP
1.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
13
Complexity
205
Defined Atom Stereocenter Count
0
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
InChi Key
VQMSRUREDGBWKT-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
Chemical Name
quinoline-4-carboxylic acid
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: 50 mg/mL (288.73 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.44 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 (14.44 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 (14.44 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 5.7747 mL 28.8734 mL 57.7467 mL
5 mM 1.1549 mL 5.7747 mL 11.5493 mL
10 mM 0.5775 mL 2.8873 mL 5.7747 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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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:
  • 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)
  • 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.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • 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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