yingweiwo

1-Methyl-2-pentyl-4(1H)-quinolinone

Cat No.:V53734 Purity: ≥98%
1-Methyl-2-pentyl-4(1H)-quinolinone is a quinolone alkaloid extracted from the fruit of Evodia Rutaecarpa and has antibacterial and anticancer bioactivities.
1-Methyl-2-pentyl-4(1H)-quinolinone
1-Methyl-2-pentyl-4(1H)-quinolinone Chemical Structure CAS No.: 22048-98-2
Product category: Bacterial
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
Other Sizes
Official Supplier of:
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text

 

  • Business Relationship with 5000+ Clients Globally
  • Major Universities, Research Institutions, Biotech & Pharma
  • Citations by Top Journals: Nature, Cell, Science, etc.
Top Publications Citing lnvivochem Products
Product Description
1-Methyl-2-pentyl-4(1H)-quinolinone is a quinolone alkaloid extracted from the fruit of Evodia Rutaecarpa and has antibacterial and anticancer bioactivities.
1-Methyl-2-pentyl-4(1H)-quinolinone (CAS 22048-98-2) is a quinolone alkaloid extracted from the fruit of Evodia rutaecarpa. It has a molecular formula of C₁₅H₁₉NO and a molecular weight of 229.32 g/mol. 1-Methyl-2-pentyl-4(1H)-quinolinone has antibacterial and anticancer bioactivities. The compound is a specific inhibitor of Plasmodium falciparum type II NADH dehydrogenase (PfNDH2). It significantly inhibits the development of malaria parasites in the mosquito stage.
Biological Activity I Assay Protocols (From Reference)
Targets
The primary target of 1-methyl-2-pentyl-4(1H)-quinolinone is Plasmodium falciparum type II NADH dehydrogenase (PfNDH2). The compound is a specific inhibitor of PfNDH2. By inhibiting this enzyme, the compound disrupts the parasite's energy metabolism. 1-Methyl-2-pentyl-4(1H)-quinolinone significantly inhibits malaria parasite development in the mosquito stage. The compound has low toxicity.
ln Vitro
In vitro studies have demonstrated the biological activities of 1-methyl-2-pentyl-4(1H)-quinolinone. The compound has antibacterial activity. It has anticancer bioactivity. The compound inhibits PfNDH2. These activities support its potential for further investigation.
ln Vivo
In vivo studies have shown that 1-methyl-2-pentyl-4(1H)-quinolinone significantly inhibits the development of malaria parasites in the mosquito stage. The compound has low toxicity. It has potential for blocking malaria transmission. Specific in vivo data have been reported in the literature.
Enzyme Assay
For PfNDH2 inhibition assays, recombinant PfNDH2 enzyme is incubated with a substrate in the presence of 1-methyl-2-pentyl-4(1H)-quinolinone. Enzyme activity is measured, and IC₅₀ values are calculated. For antibacterial assays, standard broth microdilution methods are used. For anticancer assays, cancer cell lines are treated with the compound.
Cell Assay
For in vitro cell-based studies, cancer cell lines or bacterial cells are cultured in appropriate media and treated with serial dilutions of 1-methyl-2-pentyl-4(1H)-quinolinone. Cell viability is assessed using MTT or other assays. For antimalarial studies, P. falciparum parasites are cultured and treated with the compound.
Animal Protocol
In vivo animal studies for 1-methyl-2-pentyl-4(1H)-quinolinone have been conducted in models of malaria transmission. The compound's effects on mosquito-stage parasite development have been evaluated. Standard protocols for in vivo efficacy studies are described in the literature.
ADME/Pharmacokinetics
Pharmacokinetic properties of 1-methyl-2-pentyl-4(1H)-quinolinone have not been extensively characterized. As a quinolone alkaloid with a molecular weight of 229.32 g/mol, it is expected to have reasonable membrane permeability. The compound has low toxicity. Specific PK parameters have not been reported.
Toxicity/Toxicokinetics
Toxicological data for 1-methyl-2-pentyl-4(1H)-quinolinone indicate that the compound has low toxicity. As a natural alkaloid, it may have a favorable safety profile. However, systematic toxicological studies have not been extensively published. The compound is for research use only.
References

[1]. Quinolone Alkaloids With Antibacterial and Cytotoxic Activities From the Fruits of Evodia Rutaecarpa. Fitoterapia. 2013 Sep;89:1-7.

Additional Infomation
1-Methyl-2-pentyl-4(1H)-quinolinone is a research compound used in studies of quinolone alkaloids and their biological activities. It is a specific PfNDH2 inhibitor with potential for blocking malaria transmission. The compound also has antibacterial and anticancer activities. No clinical trials or therapeutic applications have been reported.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H19NO
Molecular Weight
229.32
Exact Mass
229.146
CAS #
22048-98-2
PubChem CID
21709636
Appearance
White to off-white solid powder
Density
1.0±0.1 g/cm3
Boiling Point
332.1±42.0 °C at 760 mmHg
Flash Point
115.3±17.3 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.539
LogP
3.97
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Heavy Atom Count
17
Complexity
308
Defined Atom Stereocenter Count
0
SMILES
O=C1C([H])=C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])N(C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C21
InChi Key
CHULATXGEVFYAJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H19NO/c1-3-4-5-8-12-11-15(17)13-9-6-7-10-14(13)16(12)2/h6-7,9-11H,3-5,8H2,1-2H3
Chemical Name
1-methyl-2-pentylquinolin-4-one
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 (e.g. under nitrogen), avoid exposure to moisture and light.
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)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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).
View More

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).
View More

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 4.3607 mL 21.8036 mL 43.6072 mL
5 mM 0.8721 mL 4.3607 mL 8.7214 mL
10 mM 0.4361 mL 2.1804 mL 4.3607 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
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
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.
/

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.)
+
+
+

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.

Contact Us