221198-29-4

Basic information

• Product Name: 1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE
• Synonyms: 1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE
• CAS NO: 221198-29-4
• Molecular Formula: C₁₁H₁₄FN₃O₂
• Molecular Weight: 239.25
• Mol File: 221198-29-4.mol
• Article Data: 19

Chemical Properties

• Melting Point: 71-72°C
• Boiling Point: 365.6 °C at 760 mmHg
• Flash Point: 174.9 °C
• Appearance: /Solid
• Density: 1.267
• Vapor Pressure: 1.55E-05mmHg at 25°C
• Refractive Index: 1.562
• PKA: 7.15±0.42(Predicted)
• CAS DataBase Reference: 1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE(221198-29-4)
• EPA Substance Registry System: 1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE(221198-29-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 221198-29-4(Hazardous Substances Data)

Usage

General Description

1-(2-Fluoro-4-nitrophenyl)-4-methylpiperazine is a chemical compound with the molecular formula C11H15FN4O2. It is a piperazine derivative containing a fluorine atom and a nitro group attached to a phenyl ring, as well as a methyl group on the piperazine ring. 1-(2-Fluoro-4-nitrophenyl)-4-methylpiperazine is used in medicinal chemistry as a building block for the synthesis of various biologically active molecules and pharmaceutical drugs. It has also been studied for its potential antimicrobial and antitumor activities. Additionally, it possesses potential biological activity against certain enzymes and receptors, making it a valuable tool for drug discovery and development.

InChI:InChI=1/C11H14FN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3

Upstream product

• 109-01-3 1-methyl-piperazine 
• 369-34-6 3,4-difluoronitrobenzene 

Downstream Products

• 1557267-42-1 N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide 
• 1580002-62-5 (E)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]cinnamamide 
• 1580002-70-5 (E)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)acrylamide 
• 221198-99-8 1-(2-fluoro-4-aminophenyl)-4-methylpiperazine 

Relevant articles and documents

The synthesis and bioactivity of pyrrolo[2,3-d]pyrimidine derivatives as tyrosine kinase inhibitors for NSCLC cells with EGFR mutations

EGFR mutations are an ongoing challenge in the treatment of NSCLC, and demand continuous updating of EGFR TKI drug candidates. Pyrrolopyrimidines are one group of versatile scaffolds suitable for tailored drug development. However not many precedents of this type of pharmacophore have been investigated in the realm of third generation of covalent EGFR-TKIs. Herein, a series of pyrrolo[2,3-d]pyrimidine derivatives able to block mutant EGFR activity in a covalent manner were synthesized, through optimized Buchwald-Hartwig C–N cross coupling reactions. Their preliminary bioactivity and corresponding inhibitory mechanistic pathways were investigated at molecular and cellular levels. Several compounds exhibited increased biological activity and enhanced selectivity compared to the control compound. Notably, compound 12i selectively inhibits HCC827 cells harboring the EGFR activating mutation with up to 493-fold increased efficacy compared to in normal HBE cells. Augmented selectivity was also confirmed by kinase enzymatic assay, with the test compound selectively inhibiting the T790 M activating mutant EGFRs (IC50 values of 0.21 nM) with up to 104-fold potency compared to the wild-type EGFR (IC50 values of 22 nM). Theoretical simulations provide structural evidence of selective kinase inhibitory activity. Thus, this series of pyrrolo[2,3-d]pyrimidine derivatives could serve as a starting point for the development of new EGFR-TKIs.

WEE1 inhibitors as well as preparation and application thereof

The invention relates to WEE1 inhibitors as well as preparation and application thereof. The present invention relates to compounds of formula (I), or pharmaceutically acceptable salts, solvates, polymorphs or isomers thereof, and their use in the preparation of medicaments for the treatment of diseases associated with WEE1 activity.

TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES

The present invention relates to novel compounds of formula (I) that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).