5430-78-4

Basic information

• Product Name: piperazine-1,4-diacetic acid
• Synonyms: piperazine-1,4-diacetic acid;1,4-Piperazinediacetic acid
• CAS NO: 5430-78-4
• Molecular Formula: C₈H₁₄N₂O₄
• Molecular Weight: 202.20776
• EINECS: 226-587-5
• Mol File: 5430-78-4.mol
• Article Data: 8

Chemical Properties

• Melting Point: 250-252 °C
• Boiling Point: 418.6°Cat760mmHg
• Flash Point: 206.9°C
• Appearance: /
• Density: 1.321g/cm³
• Vapor Pressure: 3.53E-08mmHg at 25°C
• Refractive Index: 1.531
• PKA: 2.40±0.10(Predicted)
• CAS DataBase Reference: piperazine-1,4-diacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: piperazine-1,4-diacetic acid(5430-78-4)
• EPA Substance Registry System: piperazine-1,4-diacetic acid(5430-78-4)

Safety Data

• Hazardous Substances Data: 5430-78-4(Hazardous Substances Data)

Usage

General Description

Piperazine-1,4-diacetic acid is a chemical compound consisting of a piperazine core with two carboxylic acid groups attached to adjacent carbon atoms. It is a versatile molecule with a wide range of potential applications, including as a building block for the synthesis of pharmaceuticals and agrochemicals. The presence of two carboxylic acid groups makes piperazine-1,4-diacetic acid a potential chelating agent, capable of binding to metal ions. This property could make it useful in various industrial and environmental applications, such as in the treatment of wastewater or in the formulation of corrosion inhibitors. Overall, piperazine-1,4-diacetic acid is a valuable chemical compound with potential applications in multiple fields.

InChI:InChI=1/C8H14N2O4/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14/h1-6H2,(H,11,12)(H,13,14)

Upstream product

• 40479-50-3 2,2′-piperazine-1,4-diyldiacetamide 
• 110-85-0 piperazine 
• 79-11-8 chloroacetic acid 
• 79-08-3 bromoacetic acid 
• 7709-77-5 dimethyl 2,2′-(piperazine-1,4-diyl)diacetate 
• 40479-62-7 sodium 2,2'-(piperazine-1,4-diyl)diacetate 

Downstream Products

• 1354578-40-7 C₃₅H₄₂N₆O₇S 

Relevant articles and documents

Structure and total synthesis of aspernigerin: A novel cytotoxic endophyte metabolite

Aspernigerin (1), a novel cytotoxic alkaloid consisting of an unprecedented structural framework has been isolated from the extract of a culture of Aspergillus niger IFB-E003, an endophyte in Cyndon dactylon. Its structure was elucidated on the basis of comprehensive NMR spectral analysis and confirmed by single-crystal X-ray analysis. Aspernigerin (1) has been shown to be cytotoxic to the tumor cell lines nasopharynyeal epidermoid KB, cervical carcinoma Hela, and colorectal carcinoma SW1116 with corresponding IC50 values of 22, 46, and 35 UM, respectively. A feasible total synthetic route for aspernigerin (1) has been established for further pharmacological research.

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A new strategy for the development of highly potent and selective plasmin inhibitors

A new structure-based strategy for the design of potent and selective plasmin inhibitors was developed. These compounds could be prepared by cyclizations between the P3 and P2 amino acid residues of substrate-analogue inhibitors using metathesis or a copper-catalyzed azide alkyne cycloaddition in combination with standard peptide couplings. The most potent bis-triazole derivative 10 inhibits plasmin and plasma kallikrein with Ki of 0.77 and 2.4 nM, respectively, whereas it has poor activity against the related trypsin-like serine proteases thrombin, factor Xa, or activated protein C. Modeling experiments revealed that inhibitor 10 adopts a compact and rigid structure that fits well into the relatively open active site of plasmin and plasma kallikrein, while it is rejected from sterically demanding residues present in loops of the other enzymes. These results from modeling confirm the selectivity profile found for inhibitor 10 in enzyme kinetic studies. Such compounds might be useful lead structures for the development of new antifibrinolytic drugs for use in cardiac surgery with cardiopulmonary bypass or organ transplantations to reduce bleeding complications.