641569-96-2

Basic information

• Product Name: 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
• Synonyms: 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate;3-[(AMinoiMinoMethyl)aMino]-4-Methylbenzoic acid ethyl ester Mon;Ethyl 3-guanidino-4-methylbenzoate nitrate;Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate;3-[(Aminoimethyl)amino]-4-methylbenzoic acid ethyl estermononitrate;((aminoiminomethyl)amino)-4-methylbenzoic acid ethyl ester mononitrate;ethyl 3-guanidino-4-methylbenzoate
• CAS NO: 641569-96-2
• Molecular Formula: C₁₁H₁₅N₃O₂*HNO₃
• Molecular Weight: 284.27
• Mol File: 641569-96-2.mol

Chemical Properties

• Melting Point: 197.0 to 201.0 °C
• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate(641569-96-2)
• EPA Substance Registry System: 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate(641569-96-2)

Safety Data

• Hazardous Substances Data: 641569-96-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate is utilized as a research compound for its potential role in the development of new pharmaceutical agents. Its unique structure may offer novel interactions with biological targets, contributing to the discovery of innovative therapeutics.
Used in Chemical Analysis:
In the field of chemical analysis, 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate serves as a tool for studying complex chemical reactions and mechanisms. Its presence in assays and experiments can help elucidate the behavior of similar compounds and contribute to a deeper understanding of chemical processes.
Used in Drug Development:
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate is employed as a lead compound in drug development. Its structural features may provide a foundation for the design of new drugs with specific therapeutic effects, particularly if its functional groups can be fine-tuned to target particular biological pathways or receptors.
Used in Chemical Synthesis:
In the chemical synthesis industry, 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate may be used as an intermediate or a building block in the synthesis of more complex molecules. Its versatile functional groups could be key in creating a variety of chemical products with specialized applications.

InChI:InChI=1/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)

Upstream product

• 420-04-2 CYANAMID 
• 41191-92-8 3-amino-4-methylbenzoic acid ethyl ester 
• 2458-12-0 3-amino-p-toluic acid 
• 641569-95-1 C₁₁H₁₅N₃O₂ 
• 19013-15-1 ethyl 4-methyl-3-nitro-benzoate 
• 96-98-0 4-methyl-3-nitrobenzoic acid 

Downstream Products

• 1205540-16-4 N-(3-bromo-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide 
• 641570-12-9 C₂₀H₁₆N₆OS 

Relevant articles and documents

Method for preparing N-(5-carboxyl-2-methylphenyl)-4-(3-pyridine)-2-pyrilamine

The invention discloses a method for preparing N-(5-carboxyl-2-methylphenyl)-4-(3-pyridine)-2-pyrilamine. The method specifically comprises the following steps: step 1, carrying out ethyl esterification reaction on 3-nitro-4-methyl benzoic acid serving as an initial raw material to generate a compound 2; step 2, reducing nitro of the compound 2 through hydrogenation reduction reaction in the presence of palladium on carbon to generate a compound 3; step 3, reacting the compound 3 with a nitrile amine aqueous solution, and then carrying out base exchange to obtain a compound 4; step 4, carrying out cyclization between the compound 4 and a compound 6 to obtain a compound 7; and step 5, hydrolyzing the compound 7 under the action of an alkaline to generate a compound 8, namely N-(5-carboxyl-2-methylphenyl)-4-(3-pyridine)-2-pyrilamine. The method overcomes the defects that in the prior art such as long reaction time, low yield, high cost, difficulty for industrial production, and the like. A preparation method, which is high in yield, is environmentally-friendly, and is suitable for industrial production, is provided.

Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors

A series of pyridin-3-yl pyrimidines was synthesized and evaluated for their Bcr-Abl inhibitory and anticancer activity. The preliminary results indicated that some compounds were promising anticancer agents. Compounds A2, A8, and A9 exhibited potent Bcr-Abl inhibitory activity, suggesting that aniline containing halogen substituents might be important for biological activity. Molecular docking was carried out to investigate the binding mode of them with Bcr-Abl. Details of synthesis and SAR studies of these compounds are described. A series of phenylaminopyrimidines was designed and synthesized as potent Bcr-Abl inhibitors. The screening of these rationally designed compounds for antitumor activity had identified three candidate leads which could be further optimized to improve the anticancer activities.

N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF

The present invention relates to a novel N-phenyl-2-pyrimidine-amine derivative represented by the above formula (1) and its salt showing a superior effect on cancer in warm-blooded animals, such as lung cancer, gastric cancer, colon cancer, pancreatic cancer, hepatoma, prostatic cancer, breast cancer, chronic or acute leukemia, hematologic malignancy, encephalophyma, bladder cancer, rectal cancer, cervical cancer, lymphoma, etc. The present invention also relates to a process for preparing the compound, and to a pharmaceutical composition for the treatment of the above various diseases, which comprises an effective amount of the compound as an active ingredient together with pharmaceutically acceptable inert carriers.

INHIBITORS OF TYROSINE KINASES

The invention relates to compounds of formula (I) Wherein the substituents R1, R2 and R4 have the meaning as set forth and explained in the description of the invention, to processes for the preparation of these compounds, pharmaceutical compositions containing same, the use thereof optionally in combination with one or more other pharmaceutically active compounds for the therapy of a disease which responds to an inhibition of protein kinase activity, especially a neoplastic disease, in particular leukaemia, and a method for the treatment of such disease.