Home>>Analytical Standards>>3,4-EDMC (hydrochloride)

3,4-EDMC (hydrochloride)

(Synonyms: 3,4-Ethylenedioxymethcathinone) 目录号 : GC42214

An Analytical Reference Standard

3,4-EDMC (hydrochloride) Chemical Structure

Cas No.:30253-44-2

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Sample solution is provided at 25 µL, 10mM.

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产品描述

Methylone is designer cathinone that is structurally similar to the illicit, psychotropic drug 3,4-MDMA .[1] [2]  3,4-EDMC is an analog of methylone. The physiological and toxicological properties of this compound are not known. This product is intended for forensic and research purposes.

Reference:
[1]. Kamata, H.T., Shima, N., Zaitsu, K., et al. Metabolism of the recently encountered designer drug, methylone, in humans and rats. Xenobiotica 36(8), 709-723 (2006).
[2]. Prosser, J.M., and Nelson, L.S. The toxicology of bath salts: A review of synthetic cathinones. J. Med. Toxicol. 8(1), 33-42 (2012).

Chemical Properties

Cas No. 30253-44-2 SDF
别名 3,4-Ethylenedioxymethcathinone
化学名 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)-1-propanone, monohydrochloride
Canonical SMILES CC(NC)C(C1=CC(OCCO2)=C2C=C1)=O.Cl
分子式 C12H15NO3•HCl 分子量 257.7
溶解度 5mg/mL in DMSO, 5mg/mL in DMF, 5mg/mL in Ethanol 储存条件 Store at -20°C
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储备液的保存方式和期限:-80°C 储存时,请在 6 个月内使用,-20°C 储存时,请在 1 个月内使用。
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溶解性数据

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1 mg 5 mg 10 mg
1 mM 3.8805 mL 19.4024 mL 38.8048 mL
5 mM 0.7761 mL 3.8805 mL 7.761 mL
10 mM 0.388 mL 1.9402 mL 3.8805 mL
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Research Update

Paroxetine hydrochloride

Profiles Drug Subst Excip Relat Methodol 2013;38:367-406.PMID:23668408DOI:10.1016/B978-0-12-407691-4.00008-3.

Paroxetine hydrochloride (3S-trans)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-piperidine hydrochloride (or (-)-(3S,4R)-(4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)-phenoxy]methyl]piperidine hydrochloride), a phenylpiperidine derivative, is a selective serotonin reuptake inhibitor. Paroxetine is indicated for the treatment of depression, generalized anxiety disorder, obsessive-compulsive disorder, panic disorder, posttraumatic stress disorder, and social anxiety disorder. The physicochemical properties, spectroscopic data (1D and 2D NMR, UV, FT-IR, MS, PXRD), stability, methods of preparation and chromatographic methods of analysis of pharmaceutical, and biological samples of paroxetine are documented in this review. Pharmacokinetics, metabolism, and pharmacological effects are also discussed.

1-[4-(2-Dimethylaminoethoxy)phenylcarbonyl]-3,5-Bis(3,4,5-Trimethoxybenzylidene)- 4-Piperidone hydrochloride and Related Compounds: Potent Cytotoxins Demonstrate Greater Toxicity to Neoplasms than Non- Malignant Cells

Med Chem 2022;18(9):1001-1012.PMID:35319387DOI:10.2174/1573406418666220322154110.

Background: The incidence of cancer has been increasing worldwide. Unfortunately, the drugs used in cancer chemotherapy are toxic to both neoplasms and normal tissues, while many available medications have low potencies. Conjugated α,β-unsaturated ketones differ structurally from contemporary anticancer medications , some of which have noteworthy antineoplastic properties. Objectives: This study aimed to design and synthesize highly potent cytotoxins with far greater toxicity to neoplasms than to non-malignant cells. Methods: A series of N-acyl-3,5-bis(benzylidene)-4-piperidone hydrochlorides 4a-n were prepared and evaluated against Ca9-22, HSC-2, HSC-3, and HSC-4 squamous cell carcinomas as well as against HGF, HPLF, and HPC non-malignant cells. QSAR and western blot analyses were performed. Results: The majority of compounds display submicromolar CC50 values towards the neoplasms; the figures for some of the compounds are below 10-7 M. In general, 4a-n have much lower CC50 values than those of melphalan, 5-fluorouracil, and methotrexate, while some compounds are equitoxic with doxorubicin. The compounds are far less toxic to the non-malignant cells, giving rise to substantial selectivity index (SI) figures. A QSAR study revealed that both potency and the SI data were controlled to a large extent by the electronic properties of the substituents in the arylidene aryl rings. Two representative compounds, 4f and 4g, caused apoptosis in HSC-2 cells. Conclusion: The compounds in series 4 are potent cytotoxins displaying tumor-selective toxicity. In particular, 4g with an average CC50 value of 0.04 μM towards four malignant cell lines and a selectivity index of 46.3 is clearly a lead molecule that should be further evaluated.

Tramadol hydrochloride

Profiles Drug Subst Excip Relat Methodol 2013;38:463-94.PMID:23668411DOI:10.1016/B978-0-12-407691-4.00011-3.

A profile of the analgesic tramadol hydrochloride ((1RS,2RS)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol hydrochloride) is provided in this chapter and includes a summary of the physical characteristics known for this drug substance (e.g., UV/vis, IR, NMR, and mass spectra). Details regarding the stability of tramadol hydrochloride in the solid state and solution-phase are presented and methods of analysis (compendial and literature) are summarized. Furthermore, an account of biological properties and a description of the chemical synthesis of tramadol hydrochloride are given.

A 1D/2D Bi2O3/g-C3N4 step-scheme photocatalyst to activate peroxymonosulfate for the removal of tetracycline hydrochloride: insight into the mechanism, reactive sites, degradation pathway and ecotoxicity

Phys Chem Chem Phys 2023 May 3;25(17):12231-12244.PMID:37073971DOI:10.1039/d3cp00495c.

A novel 1D/2D step-scheme Bi2O3/g-C3N4 was prepared using a simple reflux method. Bi2O3 photocatalysts showed lower photocatalytic activity for the degradation of tetracycline hydrochloride under visible light irradiation. After compositing with g-C3N4, the photocatalytic activity of Bi2O3 was enhanced obviously. The enhanced photocatalytic activity of the Bi2O3/g-C3N4 photocatalysts could be attributed to the high separation efficiency of carriers generated by the Bi2O3/g-C3N4 photocatalyst due to the formation of a step-scheme heterojunction, which inhibited the recombination of photogenerated electrons and holes. In order to further enhance the degradation efficiency of tetracycline hydrochloride, Bi2O3/g-C3N4 was used to activate peroxymonosulfate under visible-light irradiation. The influences of peroxymonosulfate dosage, pH value and tetracycline hydrochloride concentration on activating peroxymonosulfate to degrade tetracycline hydrochloride were investigated in detail. The mechanism of Bi2O3/g-C3N4 activating peroxymonosulfate was proved by radical quenching experiments and electron paramagnetic resonance analysis, which proved that the sulfate radical and hole dominated the degradation of tetracycline hydrochloride. The possible vulnerable sites and pathways of tetracycline hydrochloride were predicted via DFT calculations based on Fukui function and UPLC-MS. Toxicity Estimation Software predicts that the degradation processes of tetracycline hydrochloride could gradually reduce toxicity. This study could provide an efficient and green method for the subsequent treatment of antibiotic wastewater.

Simple Two-step Procedure for the Synthesis of Memantine hydrochloride from 1,3-Dimethyl-adamantane

ACS Omega 2020 Jun 25;5(26):16085-16088.PMID:32656430DOI:10.1021/acsomega.0c01589.

Memantine hydrochloride is a medicine used for the treatment of Alzheimer's disease. A number of methods for the preparation of memantine hydrochloride have been reported. These procedures started from 1,3-dimethyl-adamantane by as many as using three or four reaction steps to produce memantine hydrochloride with overall yields ranging from 54 to 77%. In this article, a simple, concise two-step synthesis of memantine hydrochloride from 1,3-dimethyl-adamantane via N-formamido-3,5-dimethyl-adamantane with an improved overall yield of 83% was developed. In step 1, 3,5-dimethyl-adamantane was reacted with formamide and nitric acid to afford 1-formamido-3,5-dimethyl-adamantane in 98% yield, followed by hydrolysis of 1-formamido-3,5-dimethyl-adamantane with aq hydrochloride to give memantine hydrochloride in 85% yield. The procedure can be easily deployed at an industrial scale.