126653-00-7

Basic information

• Product Name: 1-PIPERAZIN-1-YL-ISOQUINOLINE
• Synonyms: 1-PIPERAZIN-1-YL-ISOQUINOLINE;1-Piperazine-1-yl-isoquinoline
• CAS NO: 126653-00-7
• Molecular Formula: C₁₃H₁₅N₃
• Molecular Weight: 213.28
• Product Categories: pharmacetical;Quinoline&Isoquinoline
• Mol File: 126653-00-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 417.715 °C at 760 mmHg
• Flash Point: 206.427 °C
• Appearance: Pale yellow solid
• Density: 1.152 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.629
• Storage Temp.: 2-8°C
• PKA: 9.23±0.30(Predicted)
• CAS DataBase Reference: 1-PIPERAZIN-1-YL-ISOQUINOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PIPERAZIN-1-YL-ISOQUINOLINE(126653-00-7)
• EPA Substance Registry System: 1-PIPERAZIN-1-YL-ISOQUINOLINE(126653-00-7)

Safety Data

• Hazardous Substances Data: 126653-00-7(Hazardous Substances Data)

Usage

General Description

1-PIPERAZIN-1-YL-ISOQUINOLINE, also known as PIPES, is a chemical compound that is often used as a buffering agent in biological research. It is a zwitterionic buffer with a pKa value of around 7.0, making it a suitable choice for maintaining a stable pH in cell culture media and other biological solutions. PIPES is commonly used in the preparation and storage of biological samples, as it does not interfere with enzyme activity or protein stability. It is also used in the formulation of various biochemical reagents and pharmaceuticals. In addition, PIPES has been shown to have low toxicity and minimal effects on cell function, making it a preferred choice for many biological applications.

InChI:InChI=1/C13H15N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-6,14H,7-10H2

Upstream product

• 205264-33-1 4-(1-isoquinolyl)-1-piperazinecarboxylic acid tert-butyl ester 
• 7742-73-6 1,3-dichloroisoquinoline 
• 634198-17-7 4-(3-chloro-1-isoquinolyl)-1-piperazinecarboxylic acid tert-butyl ester 
• 19493-44-8 1-chloroisoquinoline 
• 110-85-0 piperazine 
• 491-30-5 1-isoquinolone 
• 110-17-8 (2E)-but-2-enedioic acid 

Relevant articles and documents

Virtual Screening Approach and Investigation of Structure-Activity Relationships to Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens

Bacterial resistance is increasing rapidly, requiring urgent identification of new antibacterial drugs that are effective against multidrug-resistant pathogens. Novel bacterial topoisomerase inhibitors (NBTIs) provide a new strategy for investigating the well-validated DNA gyrase and topoisomerase IV targets while preventing cross-resistance issues. On this basis, starting from a virtual screening campaign and subsequent structure-based hit optimization guided by X-ray studies, a novel class of piperazine-like NBTIs with outstanding enzymatic activity against Staphylococcus aureus and Escherichia coli DNA gyrase and topoisomerase IV was identified. Notably, compounds (±)-33, (±)-35, and (±)-36 with potent and balanced multitarget enzymatic profiles exhibited excellent efficacy against selected Gram-positive and Gram-negative pathogens, as well as clinically relevant resistant strains. Overall, the new NBTI chemotype described herein, owing to the broad-spectrum antibacterial activity and favorable in vitro safety profile, might serve as a basis for the development of novel treatments against serious infections.

ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY

The present invention relates to novel antibacterial compounds, pharmaceutical compositions containing them and their use as antimicrobials.

Design and synthesis of piperazinylpyridine derivatives as novel 5-HT 1A agonists/5-HT3 antagonists for the treatment of irritable bowel syndrome (IBS)

We have prepared a series of piperazinylpyridine derivatives for the treatment of irritable bowel syndrome (IBS). These compounds, which were designed by pharmacophore analysis, bind to both serotonin subtype 1A (5-HT 1A) and subtype 3 (5-HT3) receptors. The nitrogen atom of the isoquinoline, a methoxy group and piper-azine were essential to the pharmacophore for binding to these receptors. We also synthesized furo- and thienopyridine derivatives according to structure-activity relationship analyses. Compound 17c (TZB-20810) had high affinities to these receptors and exhibited 5-HT1A agonistic activity and 5-HT3 antagonistic activity concurrently, and is a promising drug for further development in the treatment of IBS.