14761-40-1

Basic information

• Product Name: 3-OXO-3-(4-PHENYL-PIPERAZIN-1-YL)-PROPIONITRILE
• Synonyms: b-Oxo-4-phenyl-1-piperazinepropanenitrile;1-Piperazinepropanenitrile, .beta.-oxo-4-phenyl-;3-keto-3-(4-phenylpiperazin-1-yl)propionitrile;3-Oxo-3-(4-phenyl-1-piperazinyl)propanenitrile
• CAS NO: 14761-40-1
• Molecular Formula: C₁₃H₁₅N₃O
• Molecular Weight: 229.28
• Mol File: 14761-40-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 130-132 °C(Solv: methanol (67-56-1); chloroform (67-66-3); ethyl ether (60-29-7))
• Boiling Point: 451.5°Cat760mmHg
• Flash Point: 226.9°C
• Appearance: /
• Density: 1.182g/cm³
• Vapor Pressure: 2.42E-08mmHg at 25°C
• Refractive Index: 1.571
• PKA: -1.99±0.20(Predicted)
• CAS DataBase Reference: 3-OXO-3-(4-PHENYL-PIPERAZIN-1-YL)-PROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-OXO-3-(4-PHENYL-PIPERAZIN-1-YL)-PROPIONITRILE(14761-40-1)
• EPA Substance Registry System: 3-OXO-3-(4-PHENYL-PIPERAZIN-1-YL)-PROPIONITRILE(14761-40-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 14761-40-1(Hazardous Substances Data)

Usage

General Description

3-OXO-3-(4-PHENYL-PIPERAZIN-1-YL)-PROPIONITRILE is a chemical compound with a complex organic structure. It contains a phenyl group, a piperazine ring, a ketone function, and a cyano group, making it a member of the compound classes of phenylpiperazines, ketones, and nitriles. 3-OXO-3-(4-PHENYL-PIPERAZIN-1-YL)-PROPIONITRILE is involved in the family of Piperazines, which are compounds containing a piperazine ring, a six-membered ring with two nitrogen atoms and four carbon atoms. There are no known uses or biological activities of this specific chemical, which is common in highly specialized chemical compounds. The exact characteristics, reactions, and potential uses would require further study to specify.

InChI:InChI=1/C13H15N3O/c14-7-6-13(17)16-10-8-15(9-11-16)12-4-2-1-3-5-12/h1-5H,6,8-11H2

Upstream product

• 92-54-6 4-phenyl-1-piperazine 
• 105-34-0 methyl 2-cyanoacetate 
• 1193366-16-3 3-(4-phenylpiperazin-1-yl)-3-oxopropanamide 
• 36140-83-7 1-cyanoacetyl-3,5-dimethylpyrazole 

Downstream Products

• 1202193-86-9 C₁₅H₁₇N₃OS 
• 1261167-46-7 C₁₈H₁₉N₅O 
• 133550-50-2 (E)-3-(3,4-Dihydroxy-phenyl)-2-(4-phenyl-piperazine-1-carbonyl)-acrylonitrile 

Relevant articles and documents

Synthesis, cytotoxic characterization, and SAR study of imidazo[1,2-b]pyrazole-7-carboxamides

The synthesis and in vitro cytotoxic characteristics of new imidazo[1,2-b]pyrazole-7-carboxamides were investigated. Following a hit-to-lead optimization exploiting 2D and 3D cultures of MCF-7 human breast, 4T1 mammary gland, and HL-60 human promyelocytic leukemia cancer cell lines, a 67-membered library was constructed and the structure–activity relationship (SAR) was determined. Seven synthesized analogues exhibited sub-micromolar activities, from which compound 63 exerted the most significant potency with a remarkable HL-60 sensitivity (IC50 = 0.183 μM).

Tyrphostins. 2. Heterocyclic and α-Substituted Benzylidenemalonitrile Tyrphostins as Potent Inhibitors of EGF Receptor and ErbB2/neu Tyrosine Kinases

We have previously described a novel series of low molecular weight protein tyrosine kinase inhibitors which we named tyrphostins.The characteristic active pharmacophore of these compounds was the hydroxy-cis-benzylidenemalonitrile moiety.In this article we describe three novel groups of tyrphostins: (i) one group has the phenolic moiety of the cis-benzylidenemalononitrile replaced either with other substituted benzenes or with heteroaromatic rings, (ii) another is a series of conformationally constrained derivatives of hydroxy-cis-benzylidenemalononitriles in which the malononitrile moiety is fixed relative to the aromatic ring, and (iii) two groups of compounds in which the position trans to the benzenemalononitrile has been substituted by ketones and amides.Among the novel tyrphostins examined we found inhibitors which discriminate between the highly homologous EGF receptor kinase (HER1) and ErbB2/neu kinase (HER2).These findings may lead to selective tyrosine kinase blockers for the treatment of diseases in which ErbB2/neu is involved.