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5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER, with the molecular formula C6H8N2O2, is a methyl ester derivative of 5-methyl-1H-pyrazole-3-carboxylic acid. This chemical compound serves as a versatile building block in the synthesis of pharmaceuticals and agrochemicals, and is recognized for its broad spectrum of chemical and biological activities. Its potential applications in organic synthesis and medicinal chemistry make it a significant reagent for the development of new compounds in drug discovery and research.

25016-17-5

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25016-17-5 Usage

Uses

Used in Pharmaceutical Industry:
5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER is used as a synthetic intermediate for the development of various pharmaceuticals. Its chemical properties allow it to be incorporated into the molecular structures of drugs, enhancing their therapeutic effects and pharmacological profiles.
Used in Agrochemical Industry:
In the agrochemical sector, 5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER is utilized as a key component in the synthesis of agrochemicals. It contributes to the creation of compounds that can be used in pest control and crop protection, thereby supporting agricultural productivity.
Used in Organic Synthesis:
5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER is employed as a reagent in organic synthesis for the preparation of a variety of organic compounds. Its unique structure facilitates multiple synthetic pathways, expanding the scope of chemical reactions and the types of molecules that can be synthesized.
Used in Medicinal Chemistry Research:
5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER is used as a research tool in medicinal chemistry to explore its potential in the development of new therapeutic agents. Its diverse biological activities make it a valuable probe for understanding molecular mechanisms and designing effective drugs for various diseases.
Used in Drug Discovery:
5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER is utilized in drug discovery processes to identify and optimize lead compounds. Its incorporation into drug candidates can lead to the discovery of novel pharmaceuticals with improved efficacy and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 25016-17-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,5,0,1 and 6 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 25016-17:
(7*2)+(6*5)+(5*0)+(4*1)+(3*6)+(2*1)+(1*7)=75
75 % 10 = 5
So 25016-17-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)

25016-17-5 Well-known Company Product Price

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  • Alfa Aesar

  • (H36130)  Methyl 5-methyl[1H]pyrazole-3-carboxylate, 96%   

  • 25016-17-5

  • 1g

  • 1004.0CNY

  • Detail
  • Alfa Aesar

  • (H36130)  Methyl 5-methyl[1H]pyrazole-3-carboxylate, 96%   

  • 25016-17-5

  • 5g

  • 3326.0CNY

  • Detail
  • Aldrich

  • (732567)  Methyl 5-methylpyrazole-3-carboxylate  97%

  • 25016-17-5

  • 732567-250MG

  • 876.33CNY

  • Detail

25016-17-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 5-methyl-1H-pyrazole-3-carboxylate

1.2 Other means of identification

Product number -
Other names methyl 5-methylpyrazole-3-carboxylate

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:25016-17-5 SDS

25016-17-5Relevant academic research and scientific papers

Synthesis of 2,2,2-trifluoroethyl 1H-pyrazole carboxylates: Insight into the mechanism of trichloromethyl group hydrolysis

Gon?alves, Helena A.,Pereira, Bruna A.,Teixeira, Wystan K.O.,Moura, Sidnei,Flores, Darlene C.,Flores, Alex F.C.

, p. 40 - 45 (2016)

This paper reports one-pot synthesis of 2,2,2-trifluoroethyl 1H-pyrazole-5(3)-carboxylates via cyclocondensation of 1,1,1-trichloro-4-alkoxy-3-alken-2-ones [Cl3CC(O)C(R2) = C(R1)OMe, where R1 = H, CH3

HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS

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Page/Page column 34; 57-58, (2021/08/20)

Heteroaromatic carboxamides of formula (I), wherein R, R1, A1, A2, L1, and L2 are as defined in the description and the claims, and pharmaceutically acceptable salts thereof can be used in methods for the treatment of diseases which can be influenced by inhibition of plasma kallikrein.

Benzoxadiazepine tetradecene derivative and application thereof

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Paragraph 0075-0077; 0080-0081, (2020/07/15)

The invention discloses a benzoxadiazepine tetradecene derivative and application thereof, belonging to the field of medicines. The benzoxadiazepine tetradecene derivative with a structure as shown ina general formula (I) has excellent anaplastic lymphoma enzyme (ALK) inhibition activity and excellent pharmacodynamic performance, and can obviously prolong the large metabolic half-life period of adrug; the derivative can be safely and effectively used for treating anaplastic lymphoma kinase positive (ALK+) metastatic (advanced) non-small cell lung cancer (NSCLC) and the like, thereby providing a new means for treating cancers, metabolic and immune diseases, cardiovascular diseases, neurological diseases and the like.

Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors

-

Paragraph 0254; 0258; 0259; 0260, (2020/03/01)

Heteroaromatic carboxamides of formula (I), wherein Y, R, and X are as defined herein, and pharmaceutically acceptable salts thereof. The compounds of formula (I) can be used in methods for the treatment of diseases which can be influenced by inhibition of plasma kallikrein.

A 3 - methyl -5 - pyrazole carboxylic acid dimethyl ester chemical synthesis method

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Paragraph 0019; 0026-0028; 0036; 0037; 0045, (2019/01/22)

The invention relates to a chemical synthesis method of methyl 3-methyl-5-pyrazolylformate.3-methylpyrazole used as the raw material is subjected to reactive hydrogen protection, carboxylation, esterification and deprotection to prepare the methyl 3-methy

Discovery of DS79182026: A potent orally active hepcidin production inhibitor

Fukuda, Takeshi,Goto, Riki,Kiho, Toshihiro,Ueda, Kenjiro,Muramatsu, Sumie,Hashimoto, Masami,Aki, Anri,Watanabe, Kengo,Tanaka, Naoki

, p. 3716 - 3722 (2017/07/27)

Hepcidin has emerged as the central regulatory molecule of systemic iron homeostasis. Inhibition of hepcidin could be a strategy favorable to treating anemia of chronic disease (ACD). We report herein the synthesis and structure-activity relationships (SARs) of a series of benzisoxazole compounds as orally active hepcidin production inhibitors. The optimization study of multi kinase inhibitor 1 led to a potent and bioavailable hepcidin production inhibitor 38 (DS79182026), which showed serum hepcidin lowering effects in a mouse IL-6 induced acute inflammatory model.

With anti-tumor activity of the 3-substituted pyrazole-5-amide compound and use thereof (by machine translation)

-

Paragraph 0080; 0081; 0082, (2016/10/09)

The invention belongs to the field of medical technology, relates to a sulfenyl class with anti-tumor activity of the compounds, in particular to a thio-containing the 3-substituted pyrazole-5-amide compounds, and its pharmaceutically acceptable salt, hydrate, and the compound is a pharmaceutical composition of the active ingredient, the preparation and and its histone deacetylase inhibitor for the treatment and/or use in the prevention of cancer. The compounds of general formula I to shows, and its pharmaceutically acceptable salt, hydrate structure is as follows :? wherein R 1, R 2 such as the claim and the specification. (by machine translation)

Synthesis, Acaricidal Activity, and Structure-Activity Relationships of Pyrazolyl Acrylonitrile Derivatives

Yu, Haibo,Cheng, Yan,Xu, Man,Song, Yuquan,Luo, Yanmei,Li, Bin

, p. 9586 - 9591 (2017/01/12)

A series of novel pyrazolyl acrylonitrile derivatives was designed, targeting Tetranychus cinnabarinus, and synthesized. Their structures were identified by combination of1H NMR,13C NMR, and MS spectra. The structures of compounds 18 and 19 were further confirmed by X-ray diffraction. Extensive greenhouse bioassays indicated that compound 19 exhibits excellent acaricidal activity against all developmental stages of T. cinnabarinus, which is better than the commercialized compounds cyenopyrafen and spirodiclofen. It was shown that the acute toxicity of compounds 19 to mammals is quite low. The structure-activity relationships are also discussed.

MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES

-

Page/Page column 216, (2013/09/26)

The invention relates to compounds of formula (Φ) as further defined herein and to the pharmaceutically acceptable salts thereof, to pharmaceutical compositions comprising such compounds and salts, and to the uses thereof. The compounds and salts of the present invention inhibit anaplastic lymphoma kinase (ALK) and/or EML4-ALK and are useful for treating or ameliorating abnormal cell proliferative disorders, such as cancer.

Synthesis and fluorescence properties of lanthanide(III) complexes of a novel bis(pyrazolyl-carboxyl)pyridine-based ligand

Shi, Xiao-Ming,Tang, Rui-Ren,Gu, Guo-Liang,Huang, Ke-long

experimental part, p. 198 - 203 (2009/03/12)

A novel bis-pyrazolyl-carboxyl ligand, 2,6-bis(5-methyl-3-carboxypyrazol-1-ylmethyl)pyridine (L), was designed and synthesized and its several lanthanide(III) complexes Eu(III), Tb(III), Sm(III) and Gd(III) were successfully prepared and characterized in detail based on elemental analysis, infrared, mass, proton nuclear magnetic resonance spectroscopy and TG-DTA studies. Analysis of the IR spectra suggested that each of the lanthanide metal ions coordinated to the ligand via the carbonyl oxygen atoms and the nitrogen atom of the pyridine ring and pyrazole rings. The fluorescence spectra exhibits that the Tb(III) complex and the Eu(III) complex display characteristic metal-centered fluorescence in solid state while ligand fluorescence is completely quenched. However, the Tb(III) complex displays more effective fluorescence than the other complexes, which is attributed to especial effectivity in transferring energy from the lowest triplet energy level of the ligand (L) onto the excited state (5D4) of Tb(III).

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