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1-Benzyl-4-nitro-1H-pyrazole is a chemical compound characterized by the molecular formula C10H9N3O2. It is a nitro-substituted pyrazole derivative, featuring a five-membered ring composed of four carbon atoms and one nitrogen atom, with a benzyl group and a nitro group attached. 1-Benzyl-4-nitro-1H-pyrazole has garnered interest for its potential applications in pharmaceuticals and agrochemicals due to its wide range of biological activities, such as anti-inflammatory, antiviral, antitumor, and insecticidal properties. Additionally, it has been studied for its capacity to serve as a ligand for metal complexation and as a precursor in the synthesis of other biologically active compounds. The unique chemical structure and properties of 1-Benzyl-4-nitro-1H-pyrazole render it a valuable building block for the development of innovative drugs and agrochemicals.

88095-61-8

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88095-61-8 Usage

Uses

Used in Pharmaceutical Industry:
1-Benzyl-4-nitro-1H-pyrazole is utilized as a pharmaceutical agent for its diverse biological activities, including its anti-inflammatory, antiviral, and antitumor properties. Its potential to modulate various biological pathways and target specific diseases makes it a promising candidate for the development of new therapeutics.
Used in Agrochemical Industry:
In the agrochemical sector, 1-Benzyl-4-nitro-1H-pyrazole is employed as an insecticidal agent, leveraging its insecticidal properties to control and manage pest populations in agricultural settings.
Used as a Ligand for Metal Complexation:
1-Benzyl-4-nitro-1H-pyrazole is used as a ligand in the formation of metal complexes, which can exhibit unique chemical and physical properties. This application is valuable in various fields, including catalysis, materials science, and medicinal chemistry.
Used as a Precursor in Synthesis:
1-Benzyl-4-nitro-1H-pyrazole also serves as a precursor in the synthesis of other biologically active compounds, contributing to the development of novel pharmaceuticals and agrochemicals with improved efficacy and selectivity.
Overall, the multifaceted applications of 1-Benzyl-4-nitro-1H-pyrazole underscore its significance as a versatile chemical entity with broad implications in both medicinal and agricultural chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 88095-61-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,8,0,9 and 5 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 88095-61:
(7*8)+(6*8)+(5*0)+(4*9)+(3*5)+(2*6)+(1*1)=168
168 % 10 = 8
So 88095-61-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H9N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2

88095-61-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-benzyl-4-nitropyrazole

1.2 Other means of identification

Product number -
Other names 1-(4-methoxy-benzyl)-4-nitro-1H-pyrazole

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:88095-61-8 SDS

88095-61-8Relevant academic research and scientific papers

Design and synthesis of anti-tumor compounds containing ferulic acid-pyrazole skeleton

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Paragraph 0024-0025; 0027-0028; 0031-0032; 0034, (2021/04/28)

The invention discloses design and a preparation method of an anti-tumor compound containing a ferulic acid-pyrazole skeleton. The structure of the anti-tumor compound is shown as a formula in the specification.

COMPOUNDS AND USES THEREOF

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Paragraph 0853; 1110, (2019/11/11)

The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

Design, synthesis, and biological evaluation of pyrazole derivatives containing acetamide bond as potential BRAFV600E inhibitors

Wang, Chen-Ru,Wang, Ze-Feng,Shi, Lu,Wang, Zhong-Chang,Zhu, Hai-Liang

supporting information, p. 2382 - 2390 (2018/06/25)

With the increasingly acquired resistance, relapse and side effects of known marketed BRAFV600E inhibitors, it's significant to design the more effective and novel drugs. In this study, a series of novel pyrazole derivatives containing acetamid

Identification and Biological Evaluation of Novel Type II B-RafV600E Inhibitors

Wang, Peng-Fei,Wang, Ze-Feng,Qiu, Han-Yue,Huang, Yue,Hu, Hui-Min,Wang, Zhong-Chang,Zhu, Hai-Liang

, p. 2558 - 2566 (2018/11/23)

The mitogen-activated protein kinase (MAPK) pathway plays a vital role in signal transduction networks. Severe diseases may be triggered if it is disturbed by mutated components, especially the kinase B-RafV600E. New inhibitors of the kinase ar

C-H arylation of nitroimidazoles and nitropyrazoles guided by the electronic effect of the nitro group

Jung, Haeun,Bae, Seri,Jang, Ha-Lim,Joo, Jung Min

, p. 3009 - 3014 (2014/12/11)

A palladium-catalyzed C-H arylation reaction of nitroimidazoles and nitropyrazoles was developed using aryl bromides as arene donors. The electron-withdrawing effect of the nitro group allows for direct C-H arylation reactions of the nitro diazoles with h

Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible t-cell kinase inhibitors

Burch, Jason D.,Lau, Kevin,Barker, John J.,Brookfield, Fred,Chen, Yong,Chen, Yuan,Eigenbrot, Charles,Ellebrandt, Claire,Ismaili, M. Hicham A.,Johnson, Adam,Kordt, Daniel,Mackinnon, Colin H.,McEwan, Paul A.,Ortwine, Daniel F.,Stein, Daniel B.,Wang, Xiaolu,Winkler, Dirk,Yuen, Po-Wai,Zhang, Yamin,Zarrin, Ali A.,Pei, Zhonghua

, p. 5714 - 5727 (2014/08/05)

Interleukin-2 inducible T-cell kinase (ITK), a member of the Tec family of tyrosine kinases, plays a major role in T-cell signaling downstream of the T-cell receptor (TCR), and considerable efforts have been directed toward discovery of ITK-selective inhibitors as potential treatments of inflammatory disorders such as asthma. Using a previously disclosed indazole series of inhibitors as a starting point, and using X-ray crystallography and solubility forecast index (SFI) as guides, we evolved a series of tetrahydroindazole inhibitors with improved potency, selectivity, and pharmaceutical properties. Highlights include identification of a selectivity pocket above the ligand plane, and identification of appropriate lipophilic substituents to occupy this space. This effort culminated in identification of a potent and selective ITK inhibitor (GNE-9822) with good ADME properties in preclinical species.

Faujasite catalyzed nitrodeiodination of iodopyrazoles

Ravi,Tewari, Surya P.

, p. 35 - 39 (2013/09/12)

Nitrodeiodination of iodopyrazoles using nitric acid/Faujasite has been investigated. The present procedure is simple, rapid and convenient and requires no sulfuric acid or oleum and may be applied for the synthesis of several nitropyrazoles in good yield

Silica-sulfuric acid catalyzed nitrodeiodination of iodopyrazoles

Ravi,Gore, Girish M.,Sikder, Arun K.,Tewari, Surya P.

experimental part, p. 3463 - 3471 (2012/09/22)

We report here the synthesis of nitropyrazoles in good to excellent yields from iodopyrazoles over silica-sulfuric acid catalyst for the first time. The present procedure require less acid, offers a simplified workup procedure, and may be applied for the

HETEROCYCLIC GAMMA SECRETASE MODULATORS

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Page/Page column 27-28, (2010/06/11)

The invention relates to methods for the treatment of Alzheimer's disease, cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica and Down syndrome which comprise ad

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