25503-90-6

Basic information

• Product Name: 1-Acetyl-4-piperidinecarboxylic acid
• Synonyms: 4-Piperidinecarboxylic acid, 1-acetyl-;RARECHEM AL BO 0864;N-ACETYLISONIPECOTIC ACID;TIMTEC-BB SBB000171;BUTTPARK 96\50-12;1-ACETYL-4-PIPERIDINECARBOXYLIC ACID;1-ACETYLISONIPECOTIC ACID;1-ACETYLPIPERIDINE-4-CARBOXYLIC ACID
• CAS NO: 25503-90-6
• Molecular Formula: C₈H₁₃NO₃
• Molecular Weight: 171.19
• EINECS: 247-049-6
• Product Categories: Piperidines, Piperidones, Piperazines;Pyridine series;PiperidineDerivative;API intermediates;Heterocyclic Compounds;Neurochemicals;Carboxylic Acids;Pyrans, Piperidines & Piperazines;Heterocycles;Building Blocks;C8;Chemical Synthesis;Heterocyclic Building Blocks;Piperidines
• Mol File: 25503-90-6.mol
• Article Data: 32

Chemical Properties

• Melting Point: 180-184 °C(lit.)
• Boiling Point: 301.17°C (rough estimate)
• Flash Point: 180 °C
• Appearance: White to beige/Crystalline Powder
• Density: 1.1998 (rough estimate)
• Vapor Pressure: 1.26E-06mmHg at 25°C
• Refractive Index: 1.4750 (estimate)
• Storage Temp.: Refrigerator
• Solubility: Methanol (Slightly), Water (Slightly)
• PKA: 4.35±0.20(Predicted)
• Water Solubility: 50 g/L (20 ºC)
• BRN: 389577
• CAS DataBase Reference: 1-Acetyl-4-piperidinecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Acetyl-4-piperidinecarboxylic acid(25503-90-6)
• EPA Substance Registry System: 1-Acetyl-4-piperidinecarboxylic acid(25503-90-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-43
• Safety Statements: 26-36-37/39
• WGK Germany: 2
• HazardClass: IRRITANT
• Hazardous Substances Data: 25503-90-6(Hazardous Substances Data)

Usage

Chemical Properties

White Crystalline Solid

Uses

Different sources of media describe the Uses of 25503-90-6 differently. You can refer to the following data:
1. A synthetic intermediate in the preparation of CNS depressants
2. Reactant for synthesis of:? ;Triazole derivatives1? ;Antiproliferative agents2? ;CDK inhibitors3? ;CCR5 antagonists for HIV treatment4? ;nhNK1 antagonists5? ;Piperidine derivatives6
3. Metabolite fingerprinting in transgenic Nicotiana tabacum altered by the Escherichia coli glutamate dehydrogenase gene.

InChI:InChI=1/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/p-1

Upstream product

• 498-94-2 isonipecotic acid 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 84358-13-4 N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid 
• 5984-56-5 piperidine-4-carboxylic acid hydrochloride 
• 53220-36-3 1-(4-chloro-phenyl)-1-piperidin-4-yl-ethanol 
• 108-10-1 4-methyl-2-pentanone 
• 3874-54-2 4-(4-fluorophenyl)-4-oxo-n-butyl chloride 

Downstream Products

• 84162-84-5 1-acetyl-4-(5-fluoro-2-hydroxybenzoyl)piperidine 
• 898131-11-8 1-acetyl-N-(2-bromophenyl)piperidine-4-carboxamide 
• 115-46-8 C₁₈H₂₁NO 
• 58113-28-3 N-acetyl-α,α-diphenyl-4-piperidinemethanol 
• 92822-02-1 4-(4-fluorobenzyl)piperidine 
• 333989-00-7 1-Acetyl-N-[3-(4-benzyl-1-piperidinyl)propyl]-N-(3-chlorobenzyl)-4-piperidinecarboxamide Trifluoroacetate 
• 84162-88-9 4-(2-hydroxy-4-methoxybenzoyl)piperidine hydrochloride 
• 84162-91-4 phenylmethyl 4-(2-hydroxy-4-methoxybenzoyl)-1-piperidinecarboxylate 
• 84162-83-4 1-Acetyl-4-(2-hydroxy-4,5-dimethoxybenzoyl)piperidine 
• 84162-81-2 1-acetyl-4-(2-hydroxy-5-methoxybenzoyl)piperidine 
• 84162-85-6 1-Acetyl-4-(2,4-dichlorobenzoyl)piperidine 
• 64671-18-7 1-acetyl-4-(2-hydroxy-4-methoxybenzoyl)piperidine 
• 162368-01-6 N-acetyl-1-(piperidin-4-yl)ethanone 
• 162368-02-7 1-(1-acetylpiperidin-4-yl)-2-bromoethanone 

Relevant articles and documents

Structural and Functional Study of the Klebsiella pneumoniae VapBC Toxin-Antitoxin System, including the Development of an Inhibitor That Activates VapC

Klebsiella pneumoniae is one of the most critical opportunistic pathogens. TA systems are promising drug targets because they are related to the survival of bacterial pathogens. However, structural information on TA systems in K. pneumoniae remains lacking; therefore, it is necessary to explore this information for the development of antibacterial agents. Here, we present the first crystal structure of the VapBC complex from K. pneumoniae at a resolution of 2.00 ?. We determined the toxin inhibitory mechanism of the VapB antitoxin through an Mg2+ switch, in which Mg2+ is displaced by R79 of VapB. This inhibitory mechanism of the active site is a novel finding and the first to be identified in a bacterial TA system. Furthermore, inhibitors, including peptides and small molecules, that activate the VapC toxin were discovered and investigated. These inhibitors can act as antimicrobial agents by disrupting the VapBC complex and activating VapC. Our comprehensive investigation of the K. pneumoniae VapBC system will help elucidate an unsolved conundrum in VapBC systems and develop potential antimicrobial agents.

1-aryloxy ethyl piperidine-4-yl benzophenone derivative as well as preparation method and application thereof

The invention discloses a 1-aryloxy ethyl piperidine-4-yl benzophenone derivative as well as a preparation method and application thereof. The compound is a free alkali or salt with a compound of a formula (I) shown in the specification; the salt is one of hydrochloride, hydrobromide, sulfate, trifluoroacetate, tartrate, lactate or mesylate; in the formula, R1 independently represents H, halogen,alkyl, halogen-substituted alkyl, nitryl, amino, nitrile, hydroxyl, alkoxy, aryl alkoxy, heterocyclic alkoxy, aryl, substituted heterocyclic ring or substituted aryl; and R2 is independently selectedfrom H, halogen, alkyl, halogen substituted alkyl, nitryl, amino, nitrile, hydroxyl, alkoxy, aryl alkoxy, heterocyclic alkoxy, aryl, substituted heterocyclic ring or substituted aryl. The 1-aryloxy ethyl piperidine-4-yl benzophenone derivative is applied to preparation of medicines for treating cerebral arterial thrombosis.

Tankyrase inhibitor

The invention belongs to the technical field of medicines and particularly relates to a tankyrase inhibitor represented by a general formula (I) shown in the description and pharmaceutically acceptable salts, esters, solvates or stereoisomers thereof, wherein R1, R2, R3, m, n, Z, L, Q, A, X1, X2 and Y are as defined in the description. The invention further relates to a preparation method for the compounds, pharmaceutical preparations and pharmaceutical compositions containing the compounds and application of the compound and the pharmaceutically acceptable salts, esters, solvates or stereoisomers thereof in preparation of drugs for treating and/or preventing tankyrase mediated cancers and related diseases.