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4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester is a chemical compound with the molecular formula C6H5N3O4. It is a derivative of pyrazole with a nitro group and a carboxylic acid methyl ester functional group. 4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester is known for its potential applications in various fields, including pharmaceuticals, agrochemicals, and organic chemistry research.

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  • 1345513-95-2 Structure
  • Basic information

    1. Product Name: 4-Nitro-2H-pyrazole-3-carboxylic acid Methyl ester
    2. Synonyms: 4-Nitro-2H-pyrazole-3-carboxylic acid Methyl ester;Methyl 4-nitro-1H-pyrazole-5-carboxylate
    3. CAS NO:1345513-95-2
    4. Molecular Formula: C5H5N3O4
    5. Molecular Weight: 171.1109
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1345513-95-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-Nitro-2H-pyrazole-3-carboxylic acid Methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-Nitro-2H-pyrazole-3-carboxylic acid Methyl ester(1345513-95-2)
    11. EPA Substance Registry System: 4-Nitro-2H-pyrazole-3-carboxylic acid Methyl ester(1345513-95-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1345513-95-2(Hazardous Substances Data)

1345513-95-2 Usage

Uses

Used in Pharmaceutical Synthesis:
4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester is used as a key intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into various drug molecules, contributing to the development of new medications.
Used in Agrochemical Production:
In the agrochemical industry, 4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester is used as a building block for the creation of compounds that can be utilized in the development of pesticides and other agricultural chemicals, aiming to enhance crop protection and yield.
Used in Organic Chemistry Research:
4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester serves as a valuable research tool in organic chemistry, where it is used to explore new reactions and mechanisms, potentially leading to the discovery of novel organic compounds and synthetic pathways.
Used in Biological and Pharmacological Studies:
Due to its unique structure, 4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester has been studied for its potential biological and pharmacological activities, which may lead to the identification of new therapeutic agents or a better understanding of biological processes.
It is crucial to handle 4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester with appropriate safety measures due to its potential hazardous properties, ensuring the well-being of researchers and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 1345513-95-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,4,5,5,1 and 3 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1345513-95:
(9*1)+(8*3)+(7*4)+(6*5)+(5*5)+(4*1)+(3*3)+(2*9)+(1*5)=152
152 % 10 = 2
So 1345513-95-2 is a valid CAS Registry Number.

1345513-95-2Relevant articles and documents

Design and synthesis of fluorescent and biotin tagged probes for the study of molecular actions of FAF1 inhibitor

Yoo, Sung-Eun,Yu, Changsun,Jung, SeoHee,Kim, Eunhee,Kang, Nam Sook

, p. 1169 - 1172 (2016)

To study the molecular action of ischemic Fas-mediated cell death inhibitor, we prepared fluorescent-tagged and biotin-tagged probes of the potent inhibitor, KR-33494, of ischemic cell death. We used the molecular modeling technique to find the proper position for attaching those probes with minimum interference in the binding process of probes with Fas-mediated cell death target, FAF1.

Pyrazole derived ultra-short antimicrobial peptidomimetics with potent anti-biofilm activity

Ahn, Mija,Gunasekaran, Pethaiah,Rajasekaran, Ganesan,Kim, Eun Young,Lee, Soo-Jae,Bang, Geul,Cho, Kun,Hyun, Jae-Kyung,Lee, Hyun-Ju,Jeon, Young Ho,Kim, Nam-Hyung,Ryu, Eun Kyoung,Shin, Song Yub,Bang, Jeong Kyu

, p. 551 - 564 (2017)

In this study, we report on the first chemical synthesis of ultra-short pyrazole-arginine based antimicrobial peptidomimetics derived from the newly synthesized N-alkyl/aryl pyrazole amino acids. Through the systematic tuning of hydrophobicity, charge, an

The design and synthesis of potent and selective inhibitors of trypanosoma brucei glycogen synthase kinase 3 for the treatment of human African trypanosomiasis

Urich, Robert,Grimaldi, Raffaella,Luksch, Torsten,Frearson, Julie A.,Brenk, Ruth,Wyatt, Paul G.

, p. 7536 - 7549 (2014)

Glycogen synthase kinase 3 (GSK3) is a genetically validated drug target for human African trypanosomiasis (HAT), also called African sleeping sickness. We report the synthesis and biological evaluation of aminopyrazole derivatives as Trypanosoma brucei G

IRAK DEGRADERS AND USES THEREOF

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Paragraph 2867; 2868, (2019/07/10)

The present invention provides compounds, compositions thereof, and methods of using the same.

SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

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Page/Page column 126, (2019/03/17)

There is provided a compound of formula (I), wherein L1 to L3, R1 to R4, X, A and B have meanings given in the description, and pharmaceutically acceptable salts, solvates and prodrugs thereof, which compounds are useful as antagonists of the orexin-1 and orexin-2 receptors or as selective antagonists of the orexin-1 receptor, and thus, in particular, in the treatment or prevention of inter alia substance dependence, addiction, anxiety disorders, panic disorders, binge eating, compulsive disorders, impulse control disorders, cognitive impairment and Alzheimer's disease.

2-AZABICYCLO[3.1.1] DERIVATIVES AS ANTAGONISTS OF THE OREXIN-1 AND OREXIN-2 RECEPTORS

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Page/Page column 77, (2019/05/15)

There is provided a compound of formula I, wherein L1, R1, R2, R5, X, A and B have meanings given in the description, and pharmaceutically acceptable salts, solvates and prodrugs thereof, which compounds are useful as antagonists of the orexin-1 and orexin-2 receptors or as selective antagonists of the orexin-1 receptor, and thus, in particular, in the treatment or prevention of inter alia substance dependence, addiction, anxiety disorders, panic disorders, binge eating, compulsive disorders, impulse control disorders, cognitive impairment and Alzheimer's disease.

Design, synthesis and biological evaluation of pyridone–aminal derivatives as MNK1/2 inhibitors

Yuan, Xinrui,Wu, Hanshu,Bu, Hong,Zheng, Peiyuan,Zhou, Jinpei,Zhang, Huibin

, p. 1211 - 1225 (2019/02/28)

Excessive phosphorylation of eukaryotic translation initiation factor 4E (eIF4E) plays a major role in the dysregulation of mRNA translation and the activation of tumor cell signaling. eIF4E is exclusively phosphorylated by mitogen-activated protein kinase interacting kinases 1 and 2 (MNK1/2) on Ser209. So, MNK1/2 inhibitors could decrease the level of p-eIF4E and regulate tumor-associated signaling pathways. A series of pyridone–aminal derivatives were synthesized and evaluated as MNK1/2 inhibitors. Several compounds exhibited great inhibitory activity against MNK1/2 and selected compounds showed moderate to excellent anti-proliferative potency against hematologic cancer cell lines. In particular, compound 42i (MNK1 IC50 = 7.0 nM; MNK2 IC50 = 6.1 nM) proved to be the most potent compound against TMD-8 cell line with IC50 value of 0.91 μM. Furthermore, 42i could block the phosphorylation level of eIF4E in CT-26 cell line, and 42i inhibited the tumor growth of CT-26 allograft model significantly. These results indicated that compound 42i was a promising MNK1/2 inhibitor for the potent treatment of colon cancer.

Imidazopyridazine IRAK4 inhibitor, and preparation method and application thereof

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Paragraph 0099; 0100; 0101, (2018/03/26)

The invention belongs to the field of medicines, and especially relates to an imidazopyridazine compound or a pharmaceutically acceptable salt thereof, a preparation method thereof, and an applicationof a medicinal composition of the compound or the salt in the treatment of tumors, inflammations, immunity and other diseases. The imidazopyridazine compound is a novel protein kinase IRAK4 inhibitor, and can selectively inhibit IRAK4 and downstream signaling pathways thereof. The compound has the structural formula I.

P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS

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Paragraph 0454-0457, (2018/04/17)

The present disclosure provides novel compounds and methods for preparing and using these compounds. In one embodiment, the compounds are of the structure of formula (I), wherein R1-R7 are defined herein. In a further embodiment, these compounds are useful in method for regulating one or both of the P2X3 or P2X2/3 receptors. In another embodiment, these compounds are useful for treating pain in patients by administering one or more of the compounds to a patient. In another embodiment, these compounds are useful for treating respiratory dysfunction in patients by administering one or more of the compounds to a patient.

Tankyrase inhibitor

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Paragraph 0239-0241; 0305-0307, (2017/10/13)

The invention belongs to the technical field of medicines and particularly relates to a tankyrase inhibitor represented by a general formula (I) shown in the description and pharmaceutically acceptable salts, esters, solvates or stereoisomers thereof, wherein R1, R2, R3, m, n, Z, L, Q, A, X1, X2 and Y are as defined in the description. The invention further relates to a preparation method for the compounds, pharmaceutical preparations and pharmaceutical compositions containing the compounds and application of the compound and the pharmaceutically acceptable salts, esters, solvates or stereoisomers thereof in preparation of drugs for treating and/or preventing tankyrase mediated cancers and related diseases.

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