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53842-12-9

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53842-12-9 Usage

General Description

1-(4-CHLORO-PHENYL)-PENTANE-1,4-DIONE is a chemical compound with the molecular formula C11H13ClO2. It is a diketone, which means it contains two ketone groups. 1-(4-CHLORO-PHENYL)-PENTANE-1,4-DIONE is also known as 4-Chloro-1-phenylpentane-1,4-dione. It is often used in organic synthesis and as a building block for the preparation of various pharmaceuticals and agrochemicals. Furthermore, it has potential applications in the field of medicinal chemistry and drug discovery. The presence of a phenyl and a chloro group in its structure can make it a useful intermediate in the synthesis of new compounds with diverse biological activities. Overall, 1-(4-CHLORO-PHENYL)-PENTANE-1,4-DIONE has various potential applications in the field of chemistry and pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 53842-12-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,8,4 and 2 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 53842-12:
(7*5)+(6*3)+(5*8)+(4*4)+(3*2)+(2*1)+(1*2)=119
119 % 10 = 9
So 53842-12-9 is a valid CAS Registry Number.

53842-12-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-chlorophenyl)pentane-1,4-dione

1.2 Other means of identification

Product number -
Other names 3N-332S

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:53842-12-9 SDS

53842-12-9Relevant articles and documents

Study on the interaction of 1,5-diaryl pyrrole derivatives with αglucosidase; synthesis, molecular docking, and kinetic study

Tafesse, Tadesse Bekele,Moghadam, Ebrahim Saeedian,Bule, Mohammed Hussen,Faramarzi, Mohammad Ali,Abdollahi, Mohammad,Amini, Mohsen

, p. 545 - 553 (2021/03/26)

Background: The delaying of absorption of glucose is one of the principal therapeutic approaches of type 2 diabetes. α-glucosidase inhibitors compete with the α-glucosidase enzyme activity, which helps to reduce the conversion of carbohydrates into glucose and thereby control the postprandial hyperglycemia incidence. Objective: The aim of this study was to synthesize a series of novel 1,5-diphenyl pyrrole derivatives and evaluate their in vitro α-glucosidase inhibitory activities. Methods: Compounds were synthesized through a multistep reaction and were evaluated for αglucosidase inhibitory activities. Molecular docking and kinetic studies were carried out to predict the mode of binding and mechanism of inhibition for the most active compounds, 5g and 5b, against α-glucosidase. Results: Synthesized compounds showed good in vitro α-glucosidase inhibitory activity with IC50 values in the range of (117.5 ± 3.8 to 426.0 ± 10.2 μM) as compared to acarbose, the standard drug, (750 ± 8.7 μM). Compound 5g (117.5 ± 3.8 μM) ascertained as the most potent inhibitor of α-glucosidase in a competitive mode. The binding energies of compounds 5g and 5b (119.0 ± 7.5 μM), as observed from the best docking conformations, indicate that they have a lower free binding energy (-3.26 kcal/mol and-3.0 kcal/mol, respectively) than acarbose (2.47 kcal/mol). Conclusion: The results of our study revealed that the synthesized compounds are a potential candidate for α-glucosidase inhibitors for the management of postprandial hyperglycemia for further investigation.

Design, synthesis and in-vitro anti-cancer evaluation of novel derivatives of 2-(2-methyl-1,5-diaryl-1h-pyrrol-3-yl)-2-oxo-n-(pyridin-3-yl)acetamide

Alipour, Mohsen,Amini, Mohsen,Hamel, Ernest,Hosseinkhani, Saman,Moghadam, Ebrahim Saeedian,Ostad, Seyednasser,Saravani, Farhad,Shahsavari, Zahra

, p. 340 - 349 (2020/04/17)

Objective: Several anti-tubulin agents were introduced for the cancer treatment so far. Despite successes in the treatment of cancer, these agents cause toxic side effects, including peripheral neuropathy. Comparing anti-tubulin agents, indibulin seemed to cause minimal peripheral neuropathy, but its poor aqueous solubility and other potential clinical problems have led to its remaining in a preclinical stage. Methods: Herein, indibulin analogues were synthesized and evaluated for their in vitro anti-cancer activity using MTT assay (on the MCF-7, T47-D, MDA-MB231 and NIH-3T3 cell lines), annexin V/PI staining assay, cell cycle analysis, anti-tubulin assay and caspase 3/7 activation assay. Results: One of the compounds, 4a, showed good anti-proliferative activity against MCF-7 cells (IC50: 7.5 μM) and low toxicity on a normal cell line (IC50 > 100μM). All of the tested compounds showed lower cytotoxicity on normal cell line in comparison to reference compound, indibulin. In the annexin V/PI staining assay, induction of apoptosis in the MCF-7 cell line was observed. Cell cycle analysis illustrated an increasing proportion of cells in the sub-G-1 phase, consistent with an increasing proportion of apoptotic cells. No increase in G2/M cells was observed, consistent with the absence of anti-tubulin activity. A caspase 3/7 assay protocol showed that apoptosis induction by more potent compounds was due to activation of caspase 3. Conclusion: newly synthesized compounds exerted acceptable anticancer activity and further investigation of current scaffold would be beneficial.

Copper-Catalyzed Decarboxylative Oxyalkylation of Alkynyl Carboxylic Acids: Synthesis of ?-Diketones and ?-Ketonitriles

Li, Yi,Shang, Jia-Qi,Wang, Xiang-Xiang,Xia, Wen-Jin,Yang, Tao,Xin, Yangchun,Li, Ya-Min

supporting information, p. 2227 - 2230 (2019/03/26)

A novel copper-catalyzed decarboxylative oxyalkylation of alkynyl carboxylic acids with ketones and alkylnitriles via direct C(sp3)-H bond functionalization to construct new C-C bonds and C-O double bonds was developed. This transformation is featured by wide functional group compatibility and the use of readily available reagents, thus affording a general approach to ?-diketones and ?-ketonitriles. A possible mechanism is proposed.

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