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α-Isopropylaminopentiophenone hydrochloride

Cat No.:V58205 Purity: ≥98%
α-Isopropylaminopentiophenone HCl is an α-aminoketone analogue.
α-Isopropylaminopentiophenone hydrochloride
α-Isopropylaminopentiophenone hydrochloride Chemical Structure CAS No.: 18268-14-9
Product category: Others 12
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
Official Supplier of:
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Product Description
α-Isopropylaminopentiophenone HCl is an α-aminoketone analogue.
alpha-Isopropylaminopentiophenone hydrochloride is a synthetic cathinone derivative. It is a structural analogue of pyrovalerone and is known as a monoamine transporter inhibitor, primarily used in forensic and analytical research as a reference standard.
Biological Activity I Assay Protocols (From Reference)
Targets
The compound targets dopamine and norepinephrine transporters (DAT and NET). It acts as a reuptake inhibitor, increasing synaptic concentrations of these monoamines, similar to other synthetic cathinones. It has minimal activity at the serotonin transporter.
ln Vitro
In vitro studies show that this compound inhibits dopamine reuptake with an IC50 value in the low micromolar range. It exhibits selectivity for DAT over SERT. It does not act as a releasing agent but rather as a typical reuptake inhibitor.
ln Vivo
In vivo, synthetic cathinone analogues produce stimulant effects including increased locomotor activity and hyperactivity in rodent models. They also show potential for self-administration in animal studies, indicating abuse liability similar to cocaine or methamphetamine.
Enzyme Assay
Not specified for this compound. Standard protocols for transporter binding assays use membranes from cells expressing human DAT, NET, or SERT. Competition binding with radiolabeled ligands such as [3H]WIN35,428 is measured, followed by filtration and scintillation counting.
Cell Assay
Not specified for this compound. Standard uptake inhibition assays involve HEK-293 cells expressing human transporters. Cells are incubated with the compound and a radiolabeled substrate (e.g., [3H]dopamine for DAT), and accumulated radioactivity is measured.
Animal Protocol
In vivo protocols for stimulant effects typically use open field tests in rodents. Animals receive the compound via intraperitoneal injection, and horizontal locomotor activity is recorded for 60-120 minutes. Drug discrimination and self-administration models are used to assess abuse potential.
ADME/Pharmacokinetics
Pharmacokinetic data for this specific compound are limited. Synthetic cathinones generally have high lipid solubility, rapid brain penetration, and are metabolized by hepatic cytochrome P450 enzymes, with elimination half-lives ranging from 1-4 hours in rodents.
Toxicity/Toxicokinetics
Toxicological data are primarily derived from forensic cases. Synthetic cathinones can cause sympathomimetic toxicity including hypertension, tachycardia, hyperthermia, and serotonin syndrome. Chronic use may lead to neurotoxicity and cognitive deficits.
References
[1]. α-Aminoketone derivatives. United Kingdom, GB1069797A.
Additional Infomation
This compound is a research chemical and has no approved medical use. It is classified as a controlled substance in many jurisdictions due to its abuse potential. It serves as an analytical standard for forensic toxicology and drug testing.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C14H22CLNO
Molecular Weight
255.78
Exact Mass
255.138
CAS #
18268-14-9
PubChem CID
119057571
Appearance
Typically exists as solid at room temperature
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Heavy Atom Count
17
Complexity
207
Defined Atom Stereocenter Count
0
InChi Key
LZUBTEDAWLMSJJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H21NO.ClH/c1-4-8-13(15-11(2)3)14(16)12-9-6-5-7-10-12;/h5-7,9-11,13,15H,4,8H2,1-3H3;1H
Chemical Name
1-phenyl-2-(propan-2-ylamino)pentan-1-one;hydrochloride
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)
DMSO: ≥ 125 mg/mL (488.70 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.13 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 20.8 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: ≥ 2.08 mg/mL (8.13 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 20.8 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: ≥ 2.08 mg/mL (8.13 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 20.8 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 3.9096 mL 19.5480 mL 39.0961 mL
5 mM 0.7819 mL 3.9096 mL 7.8192 mL
10 mM 0.3910 mL 1.9548 mL 3.9096 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.
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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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