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3-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-OXO-1-PROPANAMINIUM CHLORIDE is a quaternary ammonium salt with the molecular formula C13H19NO3Cl. It features a positively charged nitrogen atom and a chloride ion, and is known for its antimicrobial properties, making it effective in killing bacteria, viruses, and fungi.

2125-49-7

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2125-49-7 Usage

Uses

Used in Disinfection Applications:
3-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-OXO-1-PROPANAMINIUM CHLORIDE is used as a disinfectant for its ability to eliminate microorganisms, which is crucial in various industrial and household settings to maintain cleanliness and prevent the spread of infections.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-OXO-1-PROPANAMINIUM CHLORIDE is used as a preservative to prevent the growth of microorganisms in medications, ensuring the safety and efficacy of the products over time.
Used in Cosmetics Industry:
3-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-OXO-1-PROPANAMINIUM CHLORIDE is used as a preservative and stabilizer in cosmetics to maintain product integrity and prevent microbial contamination, thus prolonging shelf life and ensuring consumer safety.
Used in Cationic Surfactant Applications:
3-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-OXO-1-PROPANAMINIUM CHLORIDE is also utilized as a cationic surfactant in various formulations, enhancing the cleaning and emulsifying properties of products in different industries.
It is important to handle 3-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-OXO-1-PROPANAMINIUM CHLORIDE with care due to its potential to cause skin and eye irritation, and its harmful effects if ingested or inhaled.

Check Digit Verification of cas no

The CAS Registry Mumber 2125-49-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,2 and 5 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2125-49:
(6*2)+(5*1)+(4*2)+(3*5)+(2*4)+(1*9)=57
57 % 10 = 7
So 2125-49-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H17NO.ClH/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3;/h4-7H,8-9H2,1-3H3;1H

2125-49-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one,hydrochloride

1.2 Other means of identification

Product number -
Other names 3-dimethylamino-1-(4-methoxyphenyl)-1-propanone hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
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More Details:2125-49-7 SDS

2125-49-7Relevant academic research and scientific papers

Synthesis of 4-(3-oxo-3-phenylpropyl)morpholin-4-ium chloride analogues and their inhibitory activities of nitric oxide production in lipopolysaccharide-induced BV2 cells

Yoon, Sung-Hwa,Lee, Eunhwa,Cho, Duk-Yeon,Ko, Hyun Myung,Baek, Ha Yeon,Choi, Dong-Kug,Kim, Eunha,Park, Ju-Young

supporting information, (2021/02/02)

Based on our previous report that 3-morpholino-1-phenylpropan-1-one 2, one of the fluoxetine's simplified morpholino analogue, inhibited nitric oxide (NO) production, in this paper, various substituted benzene analogues with morpholine hydrochloride of 2 were synthesized and their inhibitory effects on NO production in lipopolysaccharide (LPS)-induced BV2 cells were tested. Among the synthesized compounds, 2-trifluoromethyl analogue 16n (IC50 = 8.6 μM) showed a significantly higher inhibitory activity than that of the parent compound 2a (IC50 > 50 μM) and suppressed NO production dose-dependently without cytotoxicity. Compound 16n also inhibited iNOS expression in LPS-induced BV2 cells at 2, 10 and 20 μM concentrations. These results suggest that compound 16n inhibited NO production by suppressing the expression of iNOS and can be used as a lead structure for developing new inhibitor of NO production.

Stereoselective Construction of γ-Lactams via Copper-Catalyzed Borylacylation

Bajohr, Jonathan,Lautens, Mark,Polishchuk, Iuliia,Torelli, Alexa,Whyte, Andrew

supporting information, p. 7915 - 7919 (2020/11/02)

A versatile and highly stereoselective borylative cyclization to generate polyfunctionalized γ-lactams has been developed. The stereoselective synthesis of these key ring systems is crucial due to their ubiquity in natural products. We report the diastero- and enantioselective construction of di- and trisubstituted γ-lactam cores, with examples containing an enantioenriched quaternary carbon.

Design of two alternative routes for the synthesis of naftifine and analogues as potential antifungal agents

Abonia, Rodrigo,Garay, Alexander,Castillo, Juan C.,Insuasty, Braulio,Quiroga, Jairo,Nogueras, Manuel,Cobo, Justo,Butassi, Estefanía,Zacchino, Susana

, (2018/03/09)

Two practical and efficient approaches have been implemented as alternative procedures for the synthesis of naftifine and novel diversely substituted analogues 16 and 20 in good to excellent yields, mediated by Mannich-type reactions as the key step of the processes. In these approaches, theγ-aminoalcohols 15 and 19 were obtained as the key intermediates and their subsequent dehydration catalyzed either by Br?nsted acids like H2SO4 and HCl or Lewis acid like AlCl3, respectively, led to naftifine, along with the target allylamines 16 and 20. The antifungal assay results showed that intermediates 18 (bearing both a β-aminoketo- and N-methyl functionalities in their structures) and products 20 were the most active. Particularly, structures 18b, 18c, and the allylamine 20c showed the lowest MIC values, in the 0.5-7.8 μg/mL range, against the dermatophytes Trichophyton rubrum and Trichophyton mentagrophytes. Interesting enough, compound 18b bearing a 4-Br as the substituent of the phenyl ring, also displayed high activity against Candida albicans and Cryptococcus neoformans with MIC80 = 7.8 μg/mL, being fungicide rather than fungistatic with a relevant MFC value = 15.6 μg/mL against C. neoformans.

Evaluation of alkylating and intercalating properties of mannich bases for cytotoxic activity

Istanbullu, Huseyin,Erzurumlu, Yalcin,Kirmizibayrak, Petek Ballar,Erciyas, Ercin

, p. 1096 - 1106 (2015/04/14)

A series of new "hybrid compounds", Mannich base derivatives of planar polycyclic/heterocyclic starting materials, was designed and synthesized. The structures of the compounds were confirmed by spectroscopic methods and elemental analysis. Cytotoxicity of compounds was investigated in three cancer cell lines (PC3, HeLa, and MCF7) and one non-tumoral cell line (293 HEK). We tested the DNA-intercalating capability of the molecules by ethidium bromide (EtBr) fluorescence displacement experiment. Compounds' alkylation potency was investigated via in vitro incubation test using 2-mercaptoethanol, a biomimetic nucleophile. The five of the compounds (7s, 9d, 10b, 11b, 12c) are reported for first time in the literature. Our results suggest that compound 9d has a biological activity close to the reference compound doxorubicin, an intercalating agent in clinical use.

In vitro anti-Candida activity of certain new 3-(1H-Imidazol-1-yl)propan-1- one oxime esters

Attia, Mohamed I.,Zakaria, Azza S.,Almutairi, Maha S.,Ghoneim, Soraya W.

, p. 12208 - 12221 (2013/11/06)

Anti-Candida activities of certain new oximes 4a-d and their respective aromatic esters 5a-l are reported. The tested compounds 4a-d and 5a-l exhibited better anti-Candida profiles than fluconazole. Compound 5j, namely (E)-3-(1H-imidazol-1-yl)-1- phenylpropan-1-one O-4-chlorobenzoyl oxime emerged as the most active congener, with a MIC value of 0.0054 μmol/mL being more potent than both fluconazole (MIC > 1.6325 μmol/mL) and miconazole (MIC value = 0.0188 μmol/mL) as a new anti-Candida albicans agent.

ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS

-

Paragraph 0169, (2013/03/28)

Aralkyl diamine derivative of the following formula, pharmaceutically acceptable salts or uses thereof as antidepressants. The derivatives have triplex inhibiting activities of the reuptake of 5-HT, dopamine and noradrenalin, which can be administered to the patients in need of such treatment in the form of compositions orally or injectedly et al.

Synthesis of some Mannich bases with dimethylamine and their hydrazones and evaluation of their cytotoxicity against Jurkat cells

Kucukoglu, Kaan,Gul, Mustafa,Atalay, Mustafa,Mete, Ebru,Kazaz, Cavit,Hanninen, Osmo,Gul, Halise Inci

experimental part, p. 366 - 371 (2012/01/14)

1-Aryl-3-dimethylamino-1-propanone hydrochlorides type mono Mannich bases, D series, and corresponding hydrazone derivatives, K series, were synthesized and their cytotoxicity was tested against Jurkat cells (transformed human T-lymphocytes). The aryl part was changed as phenyl in D1 and K1, 4-methylphenyl in D2 and K2, 4-methoxyphenyl in D3 and K3, 4-hydroxyphenyl in D4 and K4, 4-chlorophenyl in D5 and K5, 3-methoxyphenyl in D6 and K6, 4-fluorophenyl in D7 and K7, 4-bromophenyl in D8 and K8, 3-hydroxyphenyl in D9 and K9, and 2-acetylthiophene in D10 and K10. Of the compounds synthesized, K2, K3, K5, K6, K7, K8, K9, and K10 are reported for the first time. Cytotoxic activities of the D and K series were compared with each other to see alterations in bioactivity depending on the chemical structures in Jurkat cells. Cytotoxicities of the compounds synthesized were also compared with the reference compound, 5-fluorouracil (CAS 148-82-3). Mono Mannich bases, D1 (3.60 times), D2 (4.45 times), D3 (2.46 times), D4 (3.52 times), D5 (5.18 times), D6 (3.20 times), D7 (3.23 times), D8 (3.95 times), D9 (3.36 times) and D10 (3.99 times) had 2.46-5.18 times higher cytotoxic potency than the reference compound 5-fluorouracil against Jurkat cells, while hydrazones K1 (4.92 times), K2 (4.65 times), K3 (6.04 times), K4 (6.34 times), K5 (4.67 times), K6 (5.12 times), K7 (5.39 times), K8 (8.31 times), K9 (4.65 times) and K10 (8.65 times) had 4.65-8.65 times higher cytotoxic potency than the reference compound 5-fluorouracil against the same cell line. On the other hand, hydrazone compounds K1 (1.37 times), K3 (2.46 times), K4 (1.80 times), K6 (1.60 times), K7 (1.67 times), K8 (2.11 times), K9 (1.38 times), and K10 (2.17 times) had 1.37-2.46 times higher cytotoxic potency than their corresponding mono Mannich bases. The results of this study suggest that hydrazones were better compounds compared with the corresponding mono Mannich bases in terms of cytotoxicity, and they may serve as model compounds to develop new cytotoxic agents for further studies. ECV ? Editio Cantor Verlag.

Synthesis of new 3-aryl-4,5-dihydropyrazole-1-carbothioamide derivatives. An investigation on their ability to inhibit monoamine oxidase

MacCioni,Alcaro,Orallo,Cardia,Distinto,Costa,Yanez,Sanna,Vigo,Meleddu,Secci

experimental part, p. 4490 - 4498 (2010/10/19)

Some differently substituted 3-aryl-4,5-dihydropyrazoles-1-carbothioamides have been synthesised with the aim to investigate their monoamine oxidase inhibitory activity. The chemical structures of the compounds have been characterized by means of their IR, 1H NMR, 13C NMR spectroscopic data and elemental analyses. All the active compounds showed a selective activity towards the B isoform of the enzyme, regardless of the substitution on the heterocyclic ring. The inhibition of the enzymatic activity was measured on human recombinant MAO isoforms, expressed in baculovirus infected BTI insect cells. Docking experiments were carried out with the aim to rationalize the mechanism of inhibition of the most active and selective compound.

Synthesis, structure characterization, and biological evaluation of some new 1,2,3-benzotriazole derivatives

Wan, Jun,Yan, Xia,Ma, Cuiping,Bi, Sai,Zhu, Hai-Liang

scheme or table, p. 970 - 983 (2011/12/04)

Ten novel benzotriazole compounds were synthesized. Their chemical structures were confirmed by 1H NMR, IR, and elemental analyses, coupled with three selected single-crystal structures (compounds A2, B3, and B5). Their antimycotic and antitumor activities were also investigated. The title compounds showed some antitumor activities, especially in the case of A3 and A4, which showed the most potent activity of propagation inhibition in liver and galactophore cancer cells. Birkhaueser Boston 2009.

Synthesis of some new 6-aryl-2-(3-oxo-1, 4-benzoxazin-6-yl)pyridines

Reddy,Reddy, Pragati,Reddy, G. Jagath,Rao, K. Srinivasa

, p. 135 - 138 (2007/10/03)

A series of some new 6-aryl-2-(3-oxo-1,4-benzoxazin-6-yl)pyridines (3a-g) have been prepared.

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