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| 100mg |
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| Targets |
The primary target of 1-(2,3-Dichlorophenyl)ethanamine hydrochloride is phenylethanolamine N-methyltransferase (PNMT). PNMT is the enzyme responsible for catalyzing the final step in catecholamine synthesis, converting norepinephrine to epinephrine. By inhibiting this enzyme, the compound effectively reduces epinephrine levels. It is also noted to have activity related to the adrenergic receptor pathway.
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| ln Vitro |
In vitro, 1-(2,3-Dichlorophenyl)ethanamine hydrochloride functions as a PNMT inhibitor. While specific IC50 values are not provided in the search results, its mechanism is well-characterized as a blocker of this enzyme. Its activity is typically measured by assessing the reduction in epinephrine production in cell-free or cell-based systems containing the PNMT enzyme.
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| ln Vivo |
1-(2,3-Dichlorophenyl)ethanamine hydrochloride (50 mg/kg; ip once daily for three days) impacts the blood pressure of rats that develop spontaneous hypertension[1].
In vivo, 1-(2,3-Dichlorophenyl)ethanamine hydrochloride has been shown to effectively reduce spontaneous hypertension in rat models. In a specific study, an intraperitoneal (IP) dose of 50 mg/kg administered once daily for three days significantly decreased blood pressure in spontaneously hypertensive rats (SHR), but showed no significant effect in normotensive Wistar-Kyoto rats. |
| Enzyme Assay |
The PNMT inhibitory activity is typically assessed using enzyme activity assays. In these assays, the enzyme is incubated with its substrate, norepinephrine, and a methyl donor, S-adenosylmethionine (SAM). The production of epinephrine is measured, and the inhibitor's ability to reduce this production is quantified. For in vivo studies, the compound is administered intraperitoneally.
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| Cell Assay |
1-(2,3-Dichlorophenyl)ethanamine hydrochloride is used in cell-based studies to investigate the role of PNMT and epinephrine in various cellular models. Cells expressing PNMT are treated with the compound, and the subsequent reduction in epinephrine production is measured, often via ELISA or LC-MS.
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| Animal Protocol |
Animal/Disease Models: Adult spontaneously hypertensive rats (SHR) and Wistar Kyoto rats[1]
Doses: 50 mg/kg Route of Administration: intraperitoneal (ip) injection; 50 mg/kg; one time/day, for 3 days Experimental Results: Dramatically decreased of the blood pressure in spontaneously hypertensive rats, but demonstrated no significant changes in Wistar-Kyoto rats. In vivo animal protocols for this compound typically use spontaneously hypertensive rats (SHR) as a disease model. A common protocol involves administering the compound at a dose of 50 mg/kg via intraperitoneal (IP) injection once daily. Blood pressure is then monitored over several days to assess the compound's antihypertensive efficacy. |
| ADME/Pharmacokinetics |
Specific pharmacokinetic (PK) data for 1-(2,3-Dichlorophenyl)ethanamine hydrochloride are not extensively detailed. The compound has a molecular weight of 226.53 g/mol and a high LogP of 4.515, indicating significant lipophilicity. It is typically stored as a powder at -20°C for up to 3 years or in solution at -80°C for up to 6 months.
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| Toxicity/Toxicokinetics |
Specific toxicological data for this compound are not reported in the provided literature. However, as a PNMT inhibitor that modulates catecholamine levels, it has significant pharmacological effects. It is for research use only and is not approved for human therapeutic use.
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| References |
[1]. Saavedra JM. Adrenaline levels in brain stem nuclei and effects of a PNMT inhibitor on spontaneously hypertensive rats. Brain Res. 1979 Apr 27;166(2):283-92.
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| Additional Infomation |
1-(2,3-Dichlorophenyl)ethanamine hydrochloride is a potent and selective PNMT inhibitor used in hypertension research. It has been shown to reduce blood pressure in spontaneously hypertensive rats. Its molecular formula is C8H10Cl3N, and it has a molecular weight of 226.53. It is a research compound with no clinical applications.
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| Molecular Formula |
C8H10CL3N
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| Molecular Weight |
226.53
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| Exact Mass |
224.988
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| CAS # |
39959-66-5
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| PubChem CID |
11957540
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| Appearance |
White to off-white solid powder
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| LogP |
4.515
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
129
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(=C([H])C([H])=C([H])C=1C([H])(C([H])([H])[H])N([H])[H])Cl.Cl[H]
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| InChi Key |
FQTXPVLCCDQRHY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H
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| Chemical Name |
1-(2,3-dichlorophenyl)ethanamine;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| 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)
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| 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
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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)] 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 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4144 mL | 22.0721 mL | 44.1443 mL | |
| 5 mM | 0.8829 mL | 4.4144 mL | 8.8289 mL | |
| 10 mM | 0.4414 mL | 2.2072 mL | 4.4144 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.
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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