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61160-18-7

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  • 3-(Benzyloxy)-2-methyl-4(1H)-pyridinone (3-(Benzyloxy)-2-methylpyridin-4(1H)-one;4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)-),cas:61160-18-7 from fandachem

    Cas No: 61160-18-7

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61160-18-7 Usage

Description

3-(Benzyloxy)-2-methyl-4(1H)-pyridinone is a pyridinone derivative with the molecular formula C13H13NO2. It features a benzyl ether group and a methyl group on the pyridinone ring, which contribute to its potential pharmacological properties. This versatile chemical compound has been studied for its antitumor activity and its capacity to inhibit DNA topoisomerase II, making it a promising candidate for medicinal applications. Additionally, it has been investigated for its use in the synthesis of various organic compounds, highlighting its significance in synthetic chemistry.

Uses

Used in Pharmaceutical Industry:
3-(Benzyloxy)-2-methyl-4(1H)-pyridinone is used as an antitumor agent for its potential to combat cancer cells. Its ability to inhibit DNA topoisomerase II, an enzyme that plays a crucial role in DNA replication, contributes to its antitumor properties, making it a valuable compound in the development of cancer therapeutics.
Used in Medicinal Chemistry Research:
3-(Benzyloxy)-2-methyl-4(1H)-pyridinone serves as a key intermediate in the synthesis of various organic compounds with potential medicinal applications. Its unique structure allows for further chemical modifications, enabling the development of new drugs with improved pharmacological profiles.
Used in Synthetic Chemistry:
3-(Benzyloxy)-2-methyl-4(1H)-pyridinone is utilized as a building block in the synthesis of complex organic molecules. Its presence in the molecular structure facilitates the formation of new chemical entities, broadening the scope of synthetic chemistry and contributing to the discovery of novel compounds with diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 61160-18-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,1,6 and 0 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 61160-18:
(7*6)+(6*1)+(5*1)+(4*6)+(3*0)+(2*1)+(1*8)=87
87 % 10 = 7
So 61160-18-7 is a valid CAS Registry Number.
InChI:InChI=1/C13H13NO2/c1-10-13(12(15)7-8-14-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)

61160-18-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(Benzyloxy)-2-methyl-4(1H)-pyridinone

1.2 Other means of identification

Product number -
Other names 3-(BENZYLOXY)-2-METHYL-4(1H)-PYRIDINONE

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:61160-18-7 SDS

61160-18-7Relevant articles and documents

Design, synthesis and biological evaluation of hydroxypyridinone-coumarin hybrids as multimodal monoamine oxidase B inhibitors and iron chelates against Alzheimer's disease

Zhang, Changjun,Yang, Ke,Yu, Sihang,Su, Jing,Yuan, Shengli,Han, Jiaxin,Chen, Yan,Gu, Jinping,Zhou, Tao,Bai, Renren,Xie, Yuanyuan

, p. 367 - 382 (2019/07/19)

A series of hybrids of hydroxypyridinone and coumarin were rationally designed, synthesized and biologically evaluated for their iron ion chelating and MAO-B inhibitory activities. Most of the compounds displayed excellent iron ion chelating effects and moderate to good anti-MAO-B activities. Compound 27a exhibited the most potent activity against MAO-B, with an IC50 value of 14.7 nM. Importantly, 27a showed good U251 cell protective effect and significantly ameliorated the cognitive dysfunction of scopolamine-induced AD mice. Moreover, molecular docking was performed to elucidate the probable ligand-receptor interaction, and the structure-activity relationships were also summarized.

Carbamoyl pyridone HIV-1 integrase inhibitors. 2. Bi- and tricyclic derivatives result in superior antiviral and pharmacokinetic profiles

Kawasuji, Takashi,Johns, Brian A.,Yoshida, Hiroshi,Weatherhead, Jason G.,Akiyama, Toshiyuki,Taishi, Teruhiko,Taoda, Yoshiyuki,Mikamiyama-Iwata, Minako,Murai, Hitoshi,Kiyama, Ryuichi,Fuji, Masahiro,Tanimoto, Norihiko,Yoshinaga, Tomokazu,Seki, Takahiro,Kobayashi, Masanori,Sato, Akihiko,Garvey, Edward P.,Fujiwara, Tamio

, p. 1124 - 1135 (2013/03/28)

This work is a continuation of our initial discovery of a potent monocyclic carbamoyl pyridone human immunodeficiency virus type-1 (HIV-1) integrase inhibitor that displayed favorable antiviral and pharmacokinetic properties. We report herein a series of

Prediction of 3-hydroxypyridin-4-one (HPO) log K1 values for Fe(iii)

Chen, Yu-Lin,Barlow, Dave J.,Kong, Xiao-Le,Ma, Yong-Min,Hider, Robert C.

, p. 10784 - 10791 (2013/01/14)

As a means to aid in the design of 3-hydroxypyridin-4-ones (HPOs) intended for use as therapeutic Fe3+ chelating agents, a novel methodology has been developed using quantum mechanical (QM) calculations for predicting the iron binding affinities of the compounds (more specifically, their log K 1 values). The reported/measured HPO log K1 values were verified through their correlation with the corresponding sum of the compounds' ligating group pKa values. Using a training set of eleven HPOs with known log K1 values, reliable predictions are shown to be obtained with QM calculations using the B3LYP/6-31+G(d)/CPCM model chemistry (with Bondi radii, and water as solvent). With this methodology, the observed log K 1 values for the training set compounds are closely matched by the predicted values, with the correlation between the observed and predicted values giving r2 = 0.9. Predictions subsequently made by this method for a test set of 42 HPOs of known log K1 values gave predicted values accurate to within ±0.32 log units. In order to further investigate the predictive power of the method, four novel HPOs were synthesised and their log K1 values were determined experimentally. Comparison of these predicted log K1 values against the measured values gave absolute deviations of 0.22 (13.87 vs. 14.09), 0.02 (14.31 vs. 14.29), 0.12 (14.62 vs. 14.50), and 0.13 (15.04 vs. 15.17). The prediction methodology reported here is the first to be provided for predicting the absolute log K1 values of iron-chelating agents in the absence of pKa values.

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