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Methyl 2-[(3-nitropyridin-2-yl)amino]acetate is a chemical compound characterized by its molecular formula C8H9N3O4. It is a yellow solid with a molecular weight of 199.17 g/mol. methyl 2-[(3-nitropyridin-2-yl)amino]acetate is primarily recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and it also holds potential applications in the field of organic chemistry. Due to its classification as a hazardous substance, it is crucial to handle methyl 2-[(3-nitropyridin-2-yl)amino]acetate with care to avoid skin and eye irritation. It should be stored in a cool, dry place away from direct sunlight and sources of ignition to ensure safety.

57461-53-7

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57461-53-7 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 2-[(3-nitropyridin-2-yl)amino]acetate is utilized as a key intermediate in the production of various pharmaceuticals. Its unique chemical structure allows it to be a valuable building block in the synthesis of drugs, contributing to the development of new medications with specific therapeutic properties.
Used in Agrochemical Production:
In the agrochemical industry, methyl 2-[(3-nitropyridin-2-yl)amino]acetate serves as an intermediate in the synthesis of various agrochemicals. Its role in this sector is crucial for the development of products that can protect crops from pests and diseases, thereby ensuring food security and agricultural productivity.
Used in Organic Chemistry Research:
Methyl 2-[(3-nitropyridin-2-yl)amino]acetate also finds application in organic chemistry research. It is used as a reagent or a starting material in various chemical reactions, enabling the synthesis of complex organic molecules for a wide range of applications, including the development of new materials, dyes, and other specialty chemicals.
Safety Precautions:
Given its classification as a hazardous substance, it is essential to handle methyl 2-[(3-nitropyridin-2-yl)amino]acetate with care. Protective equipment such as gloves and safety goggles should be worn to minimize the risk of skin and eye irritation. Additionally, it should be stored in a secure and appropriate environment, away from direct sunlight and potential ignition sources, to prevent any accidents or adverse reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 57461-53-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,4,6 and 1 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 57461-53:
(7*5)+(6*7)+(5*4)+(4*6)+(3*1)+(2*5)+(1*3)=137
137 % 10 = 7
So 57461-53-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H9N3O4/c1-15-7(12)5-10-8-6(11(13)14)3-2-4-9-8/h2-4H,5H2,1H3,(H,9,10)

57461-53-7Relevant academic research and scientific papers

Heteroaromatic Inhibitors of the Astacin Proteinases Meprin α, Meprin β and Ovastacin Discovered by a Scaffold-Hopping Approach

Tan, Kathrin,J?ger, Christian,K?rschgen, Hagen,Geissler, Stefanie,Schlenzig, Dagmar,Buchholz, Mirko,St?cker, Walter,Ramsbeck, Daniel

supporting information, p. 976 - 988 (2020/12/25)

Astacin metalloproteinases, in particular meprins α and β, as well as ovastacin, are emerging drug targets. Drug-discovery efforts have led to the development of the first potent and selective inhibitors in the last few years. However, the most recent compounds are based on a highly flexible tertiary amine scaffold that could cause metabolic liabilities or decreased potency due to the entropic penalty upon binding to the target. Thus, the aim of this study was to discover novel conformationally constrained scaffolds as starting points for further inhibitor optimization. Shifting from flexible tertiary amines to rigid heteroaromatic cores resulted in a boost in inhibitory activity. Moreover, some compounds already exhibited higher activity against individual astacin proteinases compared to recently reported inhibitors and also a favorable off-target selectivity profile, thus qualifying them as very suitable chemical probes for target validation.

HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES

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Paragraph 0111; 0113, (2020/12/22)

The present invention relates to novel hydroxamic acid derivatives useful as inhibitors of astacin metalloproteinases, in particular procollagen C-proteinase (PCP) enzymes, meprins, ovastacin and/or nematode astacins; more particularly human or mammalian

Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders

Mikami, Satoshi,Nakamura, Shinji,Ashizawa, Tomoko,Nomura, Izumi,Kawasaki, Masanori,Sasaki, Shigekazu,Oki, Hideyuki,Kokubo, Hironori,Hoffman, Isaac D.,Zou, Hua,Uchiyama, Noriko,Nakashima, Kosuke,Kamiguchi, Naomi,Imada, Haruka,Suzuki, Noriko,Iwashita, Hiroki,Taniguchi, Takahiko

, p. 7677 - 7702 (2017/10/06)

Phosphodiesterase (PDE) 2A inhibitors have emerged as a novel mechanism with potential therapeutic option to ameliorate cognitive dysfunction in schizophrenia or Alzheimer's disease through upregulation of cyclic nucleotides in the brain and thereby achieve potentiation of cyclic nucleotide signaling pathways. This article details the expedited optimization of our recently disclosed pyrazolo[1,5-a]pyrimidine lead compound 4b, leading to the discovery of clinical candidate 36 (TAK-915), which demonstrates an appropriate combination of potency, PDE selectivity, and favorable pharmacokinetic (PK) properties, including brain penetration. Successful identification of 36 was realized through application of structure-based drug design (SBDD) to further improve potency and PDE selectivity, coupled with prospective design focused on physicochemical properties to deliver brain penetration. Oral administration of 36 demonstrated significant elevation of 3′,5′-cyclic guanosine monophosphate (cGMP) levels in mouse brains and improved cognitive performance in a novel object recognition task in rats. Consequently, compound 36 was advanced into human clinical trials.

NITROGENATED HETEROCYCLIC COMPOUND

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Paragraph 0515, (2015/03/28)

The present invention provides a compound having a PDE2A selective inhibitory action, which is useful as an agent for the prophylaxis or treatment of schizophrenia, Alzheimer's disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

HETEROCYCLIC COMPOUND

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Paragraph 0379; 0380, (2015/05/26)

The present invention provides a compound having a PDE2A selective inhibitory action, which is useful as an agent for the prophylaxis or treatment of schizophrenia, Alzheimer's disease and the like. The present invention is a compound represented by the f

SYNTHESES OF FUNCTIONALIZED N-(2-PYRIDYL)-α-AMINO ACIDS AND ESTERS BY RING OPENING OF IMIDAZOPYRIDINE

Doise, Muriel,Blondeau, Dominique,Sliwa, Henri

, p. 2079 - 2093 (2007/10/02)

This report is devoted to the ring opening of the imidazole nucleus of functionalized imidazopyridines, by methanol in strong acid medium (HClO4) leading to esters of N-(2-pyridyl)-α-amino acids in which the heterocyclic moiety bears a functional g

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