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1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE, also known as Diacetylphloroglucinol (DAPG), is a small molecular weight, phenolic metabolite belonging to the phloroglucinol family. It is a benzenetriol in which two of the ring hydrogens are replaced by acetyl groups. DAPG is produced by bacteria, including Pseudomonas strains, and appears as a light pink solid.

2161-86-6

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2161-86-6 Usage

Uses

Used in Pathogen Suppression:
1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE is used as a pathogen suppressor in agriculture for its inhibitory effects on bacteria, fungi, and plants. It is a secondary metabolite of P. fluorescens strain CHAO, which helps in the biocontrol of plant diseases by some Pseudomonas strains.
Used in Antiviral Applications:
In the medical field, 1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE exhibits marked antiviral activity against both RNA viruses with envelopes (such as vesicular stomatitis virus) and DNA viruses with envelopes (such as herpes simplex virus type I).
Used in Pharmaceutical Research:
1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE is used in pharmaceutical research as a starting point for the development of novel active compounds. Although it exhibits low potency, it is important for dereplication to eliminate leads due to high amounts of weakly potent actives.
Used in Biochemical Studies:
In the field of biochemistry, 1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE is used to study its antagonistic activity against thromboxane A2 and leukotriene D4, which are important mediators of inflammation and other biological processes.

Preparation

Preparation by Friedel–Crafts acylation of phloroglucinol, ? with acetic acid, – by using boron trifluoride-acetic acid complex at 28–30° for 18 h (85%)with acetic anhydride, – in the presence of boron trifluoride-ethyl ether complex at 20° for 1 h (80%) – in the presence of zinc chloride at 145–150° for 15 min (25%); – in the presence of concentrated sulfuric acid (24%) ? with acetyl chloride, – (4 equiv.) in the presence of ferric chloride – in ethyl ether in the presence of aluminium chloride at r.t. for 5 days (8).

Biological Activity

2,4-diacetylphloroglucinol is an agent against various plant pathogenic fungi, viruses, bacteria, and nematodes.2,4-diacetylphloroglucinol, a non-nitrogen-containing compound produced by some isolates of p. fluorescens, has been used to increase crop yield by controlling plant root diseases.

in vitro

a previous study was conducted to determine if 2,4-diacetylphloroglucinol was toxic to selected nematodes. the plant-parasitic nematodes including pratylenchus scribneri and xiphinema americanum, heterodera glycines, meloidogyne incognita, and the bacterial-feeding nematodes such as pristionchus pacificus, caenorhabditis elegans, and rhabditis rainai, were found to be immersed in concentrations ranging from 0 to 100 μg/ml of 2,4-diacetylphloroglucinol. moreove, the egg hatch and viability of juveniles and adults were determined, and the results showed that 2,4-diacetylphloroglucinol was toxic to x. americanum adults with an ld50 of 8.3 μg/ml. 2,4-diacetylphloroglucinol could decrease m. incognita egg hatch, but stimulated c. elegans hatch. whereas, the viability of m. incognita j2 and of c. elegans j1 and adults was not affected. there were no observed effects on the other nematodes. these findings indicated that 2,4-diacetylphloroglucinol was not toxic to all nematodes, and did not affect the tested species of beneficial bacterial-feeding nematodes [1].

references

[1] meyer, s. l.f.,halbrendt, j.m.,carta, l.k., et al. toxicity of 2,4-diacetylphloroglucinol (dapg) to plant-parasitic and bacterial-feeding nematodes. journal of nematology 41(4), 274-280 (2009).

Check Digit Verification of cas no

The CAS Registry Mumber 2161-86-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,6 and 1 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2161-86:
(6*2)+(5*1)+(4*6)+(3*1)+(2*8)+(1*6)=66
66 % 10 = 6
So 2161-86-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3

2161-86-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-diacetylphloroglucinol

1.2 Other means of identification

Product number -
Other names 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone

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 -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2161-86-6 SDS

2161-86-6Relevant academic research and scientific papers

A large scale synthesis of a natural antibiotic, 2,4- diacetylophloroglucinol (DAPG)

Zakrzewski, Jerzy,Karpinska, Monika,Malinski, Zbigniew

, p. 103 - 106 (2007)

A natural antibiotic, 2,4-diacetylophloroglucinol (DAPG), has been prepared by the acetylation of phloroglucinol (PhL) with acetic anhydride in the presence of boron trifluoride etherate complex. The crude DAPG is efficiently purified using chromatographi

Synthesis and P-glycoprotein induction activity of colupulone analogs

Bharate, Jaideep B.,Batarseh, Yazan S.,Wani, Abubakar,Sharma, Sadhana,Vishwakarma, Ram A.,Kaddoumi, Amal,Kumar, Ajay,Bharate, Sandip B.

, p. 5488 - 5496 (2015)

Brain amyloid-beta (Aβ) plaques are one of the primary hallmarks associated with Alzheimer's disease (AD) pathology. Efflux pump proteins located at the blood-brain barrier (BBB) have been reported to play an important role in the clearance of brain Aβ, among which the P-glycoprotein (P-gp) efflux transporter pump has been shown to play a crucial role. Thus, P-gp has been considered as a potential therapeutic target for treatment of AD. Colupulone, a prenylated phloroglucinol isolated from Humulus lupulus, is known to activate pregnane-X-receptor (PXR), which is a nuclear receptor controlling P-gp expression. In the present work, we aimed to synthesize and identify analogs of colupulone that are potent P-gp inducer(s) with an ability to enhance Aβ transport across the BBB. A series of colupulone analogs were synthesized by modifications at both prenyl as well as acyl domains. All compounds were screened for P-gp induction activity using a rhodamine 123 based efflux assay in the P-gp overexpressing human adenocarcinoma LS-180 cells, wherein all compounds showed significant P-gp induction activity at 5 μM. In the western blot studies in LS-180 cells, compounds 3k and 5f were able to induce P-gp as well as LRP1 at 1 μM. The effect of compounds on the Aβ uptake and transport was then evaluated. Among all tested compounds, diprenylated acyl phloroglucinol 5f displayed a significant increase (29%) in Aβ transport across bEnd3 cells grown on inserts as a BBB model. The results presented here suggest the potential of this scaffold to enhance clearance of brain Aβ across the BBB and thus its promise for development as a potential anti-Alzheimer agent.

Diacylphloroglucinol derivatives as antioxidant agents: green synthesis, optimisation, in?vitro, and in silico evaluation

Prasetyo, Wahyu E.,Kusumaningsih, Triana,Firdaus, Maulidan,Marliana, Soerya D.,Suryanti, Venty,Artanti, Anif N.,Apriana, Ita,Anggraini, Septin D.

, (2021)

Several derivatives of diacylphloroglucinol (3a–3c and 5a–5b) as an analogue of natural product compound 2,4-diacetylphloroglucinol 3a, were successfully synthesised in an excellent yield via a greener Friedel–Craft acylation using methanesulfonic acid (MSA) as a catalyst under an ultrasound-assisted condition. Operational simplicity, excellent yield, expedient metal-free synthesis, energy-efficient and mild reaction conditions are the outstanding advantages in this procedure. A scaled-up reaction also revealed the practical suitability of this newly developed procedure. The effects of several process variables on 3a were carefully accomplished using response surface methodology (RSM). Moreover, the green credentials of the present protocol have been assessed using several established green metrics and compared to relevant procedures. Along with the monomers, dimeric diacylphloroglucinols (6a–6e) were also synthesised and their in?vitro antioxidant activity of these species were carried out. Furthermore, drug-likeness, density functional theory (DFT), and molecular docking studies were also established.

Convenient synthesis of 2,4-diacetylphloroglucinol a natural antibiotic involved in the control of take-all disease of wheat

Marchand, Patrice A.,Weller, David M.,Bonsall, Robert F.

, p. 1882 - 1887 (2000)

2,4-Diacetylphloroglucinol (DAPG) is an antibiotic with broad-spectrum antibacterial and antifungal activities. It is a major determinant in the biological control of several plant diseases. DAPG is produced by Pseudomonas fluorescens both in vitro and in the rhizosphere of wheat. It is involved in the natural suppression of take-all disease known as take-all decline, which develops in soils following extended monoculture of wheat or barley. A one- step synthesis of DAPG from the commercially available 2- acetytlphloroglucinol is described. This reaction involves the direct alkylation of 2-acetylphloroglucinol using acetic anhydride as the acetylation reagent, with boron trifluoride-etherate as the catalyst. This synthesis is simple and produces higher yields of DAPG (90%) as compared with previously described procedures. As ecological concerns are gaining equal status with agricultural concerns, the demand for natural biocontrol measures is increasing. There is tremendous pressure from society on agriculture to reduce the use of pesticides. A discussion is given on the agricultural and ecological importance of this natural antibiotic and its application as an alternative to reduce the use of synthetic pesticides.

Highly efficient and green synthesis of diacylphloroglucinol over treated natural zeolite mordenite and the optimization using response surface method (RSM)

Prasetyo, Wahyu Eko,Kusumaningsih, Triana,Firdaus, Maulidan

, p. 3352 - 3372 (2019)

Herein, we report a greener and highly efficient route for the Friedel-Craft acylation of phloroglucinol over Indonesian treated natural zeolite mordenite (nHZMOR) catalyst to provide value-added diacylphloroglucinol derivatives under solvent-free conditi

A greatly improved procedure for the synthesis of an antibiotic-drug candidate 2,4-diacetylphloroglucinol over silica sulphuric acid catalyst: multivariate optimisation and environmental assessment protocol comparison by metrics

Firdaus, Maulidan,Kusumaningsih, Triana,Prasetyo, Wahyu Eko

, p. 31824 - 31837 (2020)

Efforts toward the development of a straightforward greener Gram-scale synthesis of the antibiotic compound 2,4-diacetylphloroglucinol (DAPG) have been developed. This beneficial procedure was accomplished through the Friedel-Crafts acylation of phloroglucinol over inexpensive heterogeneous silica sulphuric acid (SSA) catalystviaultrasound-assisted (US) synthesis under solvent-free condition. The influences of various parameters such as temperature, catalyst loading, and reaction time on the reaction performance were analysed using a multivariate statistical modelling response surface methodology (RSM). A high yield ofDAPG(95%) was achieved at 60 °C after 15-20 min reaction with the presence of 10% (w/w)SSAas the catalyst. Column chromatography-free and a Gram scale-up reaction also exhibited the practical applicability of this newly developed protocol. TheSSAcatalyst was recovered and recycled up to 10 consecutive runs with no appreciable loss of activity. A plausible mechanism for the Friedel-Crafts acylation of phloroglucinol is proposed. Moreover, an environmental assessment has been carried out over this present method and compared with several established literature using the EATOS software and the Andraos algorithm to assess the consumption of the substrates, solvents, catalysts, and the production of coupled products or by-products. In addition, their energy consumptions were also determined. The data collected showed that the present method is the most promising one, characterised by the highest environmental impact profile against all the other reported methods. The physicochemical properties of the synthesisedDAPGwere assessed and exhibited reasonable oral bioavailability drug property as determined by Lipinski's rules.

Toward an efficient and eco-friendly route for the synthesis of dimeric 2,4-diacetyl phloroglucinol and its potential as a SARS-CoV-2 main protease antagonist: Insight from: In silico studies

Kusumaningsih, Triana,Prasetyo, Wahyu E.,Wibowo, Fajar R.,Firdaus, Maulidan

supporting information, p. 7830 - 7843 (2021/05/13)

As a consequence of the unavailability of an anti-viral drug for SARS-CoV-2, the prospect of developing an antiviral drug is of great importance in this current emergency of the COVID-19 pandemic era. To support the enduring research on the improvement of

Total synthesis of dryocrassin ABBA and its analogues with potential inhibitory activity against drug-resistant neuraminidases

Hou, Bo,Liu, Ze,Yang, Xiao-Bei,Zhu, Wen-Fei,Li, Jin-Yu,Yang, Liu,Reng, Fu-Cai,Lv, Yong-Feng,Hu, Jiang-Miao,Liao, Guo-Yang,Zhou, Jun

, p. 3846 - 3852 (2019/07/18)

The stems of Dryopteris crassirhizoma, one of the main components of Lianhua-Qingwen Formula (LQF) was traditionally used for heat-clearing and detoxifying. Dryocrassin ABBA is a key antiviral component in the herbal medicine while the compound is hard to

2. 4 - Diacetyl phloroglucinol analogue and its preparation method and application

-

Paragraph 0024; 0031; 0050, (2018/05/30)

The invention discloses a 2,4-DAPG analogue and a preparation method and application thereof. The structure of the 2,4-DAPG analogue is shown as the formula (1) or formula (2), wherein R is C2-C15 alkyl, R1 and R2 are C1-C15 alkyl, and the R1 and the R2 a

Spectrometric assay for horseradish peroxidase activity based on the linkage of conjugated system formed by oxidative decarboxylation

Yamaguchi, Masaki,Sato, Shingo

, p. 189 - 194 (2016/12/27)

Horseradish peroxidase (HRP)-catalyzed oxidation of 2,2-bis[3-acethylfilicinic acid-5-yl]acetic acid (BAFA, 4) produces Dehydro-3,3’-diacetyl-5,5’-methylenedifilicinic acid (DDMF, 3). A new photometric hydrogen donor (4) for peroxidase (POD)-catalyzed oxi

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