21091-98-5

Basic information

• Product Name: (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone
• Synonyms: (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone;1-Methyl-4-[(4-nitrophenyl)carbonyl]piperazine;(4-methyl-1-piperazinyl)(4-nitrophenyl)methanone
• CAS NO: 21091-98-5
• Molecular Formula: C₁₂H₁₅N₃O₃
• Molecular Weight: 249.2658
• Mol File: 21091-98-5.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 423.9°C at 760 mmHg
• Flash Point: 210.1°C
• Appearance: /
• Density: 1.262g/cm³
• Vapor Pressure: 2.16E-07mmHg at 25°C
• Refractive Index: 1.588
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 6.59±0.10(Predicted)
• CAS DataBase Reference: (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone(CAS DataBase Reference)
• NIST Chemistry Reference: (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone(21091-98-5)
• EPA Substance Registry System: (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone(21091-98-5)

Safety Data

• Hazardous Substances Data: 21091-98-5(Hazardous Substances Data)

Usage

Description

(4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone is an organic compound with the molecular formula C11H14N2O3. It is a derivative of methanone, featuring a 4-methylpiperazin-1-yl group and a 4-nitrophenyl group. (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone is known for its reactivity and utility in various chemical reactions and processes.

Uses

Used in Chemical Synthesis:
(4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone is used as a reactant for the interconversion of amide to thioamide using reusable MCM-41 mesoporous silica. This application is particularly relevant in the field of organic chemistry, where the conversion of functional groups is a common strategy for the synthesis of complex molecules and pharmaceuticals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone may be utilized as a building block or intermediate in the synthesis of various drug candidates. Its unique structure and reactivity make it a valuable component in the development of new medications with potential therapeutic applications.
Used in Research and Development:
(4-Methylpiperazin-1-yl)(4-nitrophenyl)Methanone is also used in research and development settings, where it can be employed to study the properties and reactivity of related compounds. This can lead to the discovery of new chemical reactions and the development of novel synthetic methods.

InChI:InChI=1/C12H15N3O3/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3

Upstream product

• 109-01-3 1-methyl-piperazine 
• 555-16-8 4-nitrobenzaldehdye 
• 367-24-8 4-bromo-2-fluoroaniline 
• 30806-83-8 p-ethoxycarbonylphenyl isocyanate 
• 122-04-3 4-nitro-benzoyl chloride 
• 62-23-7 4-nitro-benzoic acid 

Downstream Products

• 55121-99-8 (4-aminophenyl)(4-methylpiperazin-1-yl)methanone 
• 1332327-18-0 1-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea 
• 1374208-26-0 1-(4-bromo-phenyl)-3-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-urea 
• 1374203-74-3 1-[4(6-fluoro-4-morpholin-4-yl-7-pyridin-3-yl-quinazolin-2-yl)-phenyl]-3-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-urea 
• 1374203-75-4 4-(3-{4-[8-(3-hydroxy-phenyl)-4-morpholin-4-yl-quinazolin-2-yl]-phenyl}-ureido)-N,N-dimethyl-benzamide 
• 1314996-60-5 7-Amino-8-ethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenylamino]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide 
• 16781-67-2 2-morpholin-4-yl-2-thiazole-4(5H)-one 
• 708250-06-0 (4-methylpiperazin-1-yl)(4-nitrophenyl)methanethione 
• 1313481-17-2 (4-(6-chloro-2-methoxyacridin-9-ylamino)phenyl)(4-methylpiperazin-1-yl)methanone 
• 79834-48-3 (4-Methyl-piperazin-1-yl)-{4-[(2-thioxo-benzooxazol-3-ylmethyl)-amino]-phenyl}-methanone 
• 79834-45-0 1-benzoyl>-4-methylpiperazine 

Relevant articles and documents

PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF

The present invention discloses a pyrimidine compound, a preparation method thereof and a medical use thereof. Specifically, the present invention discloses a pyrimidine compound represented by formula (I), pharmaceutically acceptable salts thereof, a preparation method thereof, and a use thereof as a cyclin-dependent kinase 9 (CDK9) inhibitor, particularly for the treatment of cancer. The definition of each group in formula (I) is the same as that in the specification.

Combining structure- and property-based optimization to identify selective FLT3-ITD inhibitors with good antitumor efficacy in AML cell inoculated mouse xenograft model

FLT3 mutation is among the most common genetic mutations in acute myeloid leukemia (AML), which is also related with poor overall survival and refractory in AML patients. Recently, FLT3 inhibitors have been approved for AML therapy. Herein, a series of new compounds with pyrazole amine scaffold was discovered, which showed potent inhibitory activity against FLT3-ITD and significant selectivity against both FLT3-ITD and AML cells expressing FLT3-ITD. Compound 46, possessing the most promising cellular activity, blocked the autophosphorylation of FLT3 pathway in MV4-11 cell line. Furthermore, the apoptosis and downregulation of P-STAT5 were also observed in tumor cells extracted from the MV4-11 cell xenografts model upon compound 46 treatment. Compound 46 was also metabolically stable in vitro and suppressed tumor growth significantly in MV4-11 xenografts model in vivo. Compound 46 showed no toxicity to the viscera of mice and caused no decrease in body weight of mice. In conclusion, the results of this study could provide valuable insights into discovery of new FLT3 inhibitors, and compound 46 was worthy of further development as potential drug candidate to treat AML.

Discovery of 4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amines as potent, selective and orally bioavailable LRRK2 inhibitors

Inhibition of LRRK2 kinase activity with small molecules has emerged as a potential novel therapeutic treatment for Parkinson's disease. Herein we disclose the discovery of a 4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine series as potent LRRK2 inhibitors id