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

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

Uses

Used in Biological Research:
PIPES is used as a buffering agent for maintaining a stable pH in biological solutions, such as cell culture media, due to its zwitterionic nature and suitable pKa value. It ensures optimal conditions for biological processes without interfering with enzyme activity or protein stability.
Used in Preparation and Storage of Biological Samples:
PIPES is utilized as a buffering agent in the preparation and storage of biological samples to preserve their integrity and functionality. Its low toxicity and minimal effects on cell function make it an ideal choice for preserving the samples without compromising their biological activity.
Used in Formulation of Biochemical Reagents and Pharmaceuticals:
PIPES is employed as a key component in the formulation of various biochemical reagents and pharmaceuticals. Its buffering capacity and compatibility with biological systems contribute to the stability and effectiveness of these formulations.

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

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.

NEW ANTIBACTERIAL COMPOUNDS

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

ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY

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

Development of (S)-N6-(2-(4-(isoquinolin-1-yl)piperazin-1-yl) ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]-thiazole-2,6-diamine and its analogue as a D3 receptor preferring agonist: Potent in vivo activity in Parkinson's disease anima

Here we report structure - activity relationship study of a novel hybrid series of compounds where structural alteration of aromatic hydrophobic moieties connected to the piperazine ring and bioisosteric replacement of the aromatic tetralin moieties were

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.

PYRIMIDINE DERIVATIVE

This invention provides pyrimidine derivatives represented by a formula, in the formula, ring A stands for carbocyclic group or heterocyclic group, X 1 stands for hydrogen, lower alkyl, amino, etc., X 2 stands for hydrogen or lower alkyl, Y stands for a direct bond or sulfur or nitrogen, n stands for an integer of 0 - 4, and Ar stands for a group of the following formula, or a salt thereof, which concurrently exhibit 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity and are useful for therapy and treatments of diseases such as IBS. The invention furthermore provides a therapeutic method of IBS, characterized by having 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity work simultaneously and cooperatively in vivo, which comprises either administering 5-HT 3 antagonistic agent which concurrently exhibits 5-HT 1A agonistic activity, or administering 5-HT 1A agonistic agent and 5-HT 3 antagonistic agent simultaneously, in sequence or at an interval.

ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION

Compounds are provided which are useful for the treatment of serotonin-affected neurological disorders which comprise (I) wherein: Ra, R1, R2 and R3 are each, independently, hydrogen, or a substituent selected from halogen, CF3, alkyl, alkoxy, MeSO2, amino or aminocarbonyl (each optionally substituted by one or two groups selected from alkyl and benzyl) carboxy, or alkoxycarbonyl; or two adjacent of Ra and R1-4 together can form a 5-7 membered carbocyclic or heterocyclic ring which is optionally substituted by a substituent defined above; R4 is hydrogen, halogen, or alkyl; R5 is hydrogen, alkyl, arylalkyl, or aryl; R6 is hydrogen, halogen, CF3, CN, carbamide, alkoxy or benzyloxy; X1, X2 and X3 are each carbon or one of X1, X2 or X3 may be nitrogen; Y is CH or nitrogen; and Z is carbon or nitrogen; or pharmaceutically acceptable salts thereof.

Potent and Selective Inhibitors of Platelet-Derived Growth Factor Receptor Phosphorylation. 3. Replacement of Quinazoline Moiety and Improvement of Metabolic Polymorphism of 4-[4-(N-Substituted (thio)carbamoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline Derivatives

We have previously reported that a series of 4-[4-(N-substituted (thio)carbamoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline derivatives were potent and selective inhibitors of platelet-derived growth factor receptor (PDGFR) phosphorylation and demonstrated several biological effects such as suppression of neointima formation following balloon injury in rat carotid artery by oral administration. Here, we investigated structure-activity relationships of the 6,7-dimethoxyquinazolinyl moiety. In regard to 6,7-dimethoxy groups, ethoxy analogues showed potent activity (IC50 of 16b is 0.04 μM; IC50 of 17a is 0.01 μM) and further extension of the alkyl group reduced activity. Interestingly, methoxyethoxy (IC50 of 16j is 0.02μM; IC50 of 17h is 0.01 μM) and ethoxyethoxy (IC50 of 17j is 0.02 μM) analogues showed the most potent activity, suggesting that the inserted oxygen atom significantly interacts with β-PDGFR. Among tricyclic quinazoline derivatives, the 2-oxoimidazo[4,5-e]quinazoline derivative 21a showed potent activity (IC 50 = 0.10 μM). Regarding replacements of quinazoline by other heterocyclic rings, pyrazolo[3,4-d]pyrimidine (39a, IC50 = 0.17 μM) and quinoline (IC50 of 40a is 0.18 μM; IC50 of 40b is 0.09 μM) derivatives showed potent activity. Isoquinoline and some pyridopyrimidine derivatives were completely inactive; therefore, 1-aza has an important role. Also 7-aza and 8-aza substitution on the parent quinazoline ring has a detrimental effect on the interaction with β-PDGFR. We also demonstrated that the substituents on the quinazoline ring possess major consequences for metabolic polymorphism. Although there existed extensive metabolizers and poor metabolizers in Sprague-Dawley rats administrated 6,7-dimethoxyquinazoline derivatives (1b and 1c), 6-(2-methoxy)ethoxy-7-methoxyquinazoline analogue 16k showed no metabolic polymorphism.

N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides

Piperazine derivatives of formula I and their pharmaceutically acceptable acid addition salts are 5-HT1A binding agents, particularly 5-HT1A antagonists and may be used, for example, as anxiolytics. In the formula A is C2-4 alkylene chain optionally substituted by lower alkyl, Z is oxygen or sulphur, R is hydrogen or lower alkyl, R1 is a mono or bicyclic aryl or heteroaryl radical, R2 is a mono or bicyclic heteroaryl radical and R3 is hydrogen or a specified radical such as lower alkyl, cycloalkyl, aryl, heteroaryl or optionally substituted amino.

1-(ISOQUINOLIN-1-YL)-4-(1-PHENYLMETHYL) PIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS

Disclosed are compounds useful in treating psychotic disorders such as schizophrenia and other central nervous system diseases, where the compounds have general Formula I: STR1 wherein: Ar represents an aryl or heteroaryl group;R 1 and R 2 independe