45798-01-4

Basic information

• Product Name: 1-Piperazinecarboximidamide,4-methyl-(9CI)
• Synonyms: 1-Piperazinecarboximidamide,4-methyl-(9CI);4-methylpiperazine-1-carboximidamide(SALTDATA: 0.5H2SO4);4-methylpiperazine-1-carboximidamide 0.5H2SO4;4-Methyl-1-piperazinecarboxiMidaMide sulfate (SALTDATA: 0.5H2SO4);4-methyl-1-piperazinecarboxamidine;4-methylpiperazine-1-carboximidamide sulfate
• CAS NO: 45798-01-4
• Molecular Formula: C₆H₁₄N₄
• Molecular Weight: 142.205
• Product Categories: AMIDINE
• Mol File: 45798-01-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 569.7°C at 760 mmHg
• Flash Point: 298.4°C
• Appearance: /
• Density: 1.23±0.1 g/cm3(Predicted)
• Vapor Pressure: 1.82E-14mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 13.41±0.20(Predicted)
• CAS DataBase Reference: 1-Piperazinecarboximidamide,4-methyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperazinecarboximidamide,4-methyl-(9CI)(45798-01-4)
• EPA Substance Registry System: 1-Piperazinecarboximidamide,4-methyl-(9CI)(45798-01-4)

Safety Data

• Hazardous Substances Data: 45798-01-4(Hazardous Substances Data)

Usage

Chemical classification

Piperazine derivative

Use in pharmaceutical industry

Key intermediate in the synthesis of various drugs and pharmaceuticals

Known for

Central nervous system (CNS) activity

Medicinal applications

Development of medications for conditions such as anxiety, depression, and schizophrenia

Potential use

Treatment of cancer and other diseases

Role in research

Medicinal chemistry and drug discovery

InChI:InChI=1/2C6H14N4.H2O4S/c2*1-9-2-4-10(5-3-9)6(7)8;1-5(2,3)4/h2*2-5H2,1H3,(H3,7,8);(H2,1,2,3,4)

Upstream product

• 105-53-3 diethyl malonate 
• 109-01-3 1-methyl-piperazine 
• 4023-02-3 1H-pyrazole-1-carboximidamide hydrochloride 
• 867-44-7 S-Methylisothiourea sulfate 
• 861429-91-6 4-methylpiperazine-1-carboxamidine hydrochloride 

Downstream Products

• 1443153-39-6 tert-butyl 4-(3-methoxyphenylamino)-2-(4-methylpiperazin-1-yl)-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate 
• 1443153-40-9 tert-butyl 4-(4-fluorophenylamino)-2-(4-methylpiperazin-1-yl)-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate 
• 1443153-20-5 N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine 
• 1346751-51-6 N-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine 
• 1443153-21-6 N-(4-fluorophenyl)-7-methyl-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine 
• 1221412-73-2 C₂₆H₃₀N₆O₂ 
• 1221412-72-1 C₂₈H₂₇N₅O₂ 
• 1221412-71-0 C₂₃H₂₅N₅O₃ 
• 1221412-70-9 C₂₂H₂₂BrN₅O₂ 
• 1221412-69-6 C₂₂H₂₂BrN₅O₂ 
• 1221412-68-5 C₂₂H₂₃N₅O₂ 
• 100185-65-7 2-(4-Methyl-1-piperazinyl)-5,6-dihydro-4(1H)-pyrimidinon 

Relevant articles and documents

BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY

The present invention provides compounds and compositions thereof which are useful as inhibitors of Bruton's tyrosine kinase and which exhibit desirable characteristics for the same.

Synthesis and antitumor activities of a new series of 4,5-dihydro-1H- thiochromeno[4,3-d]pyrimidine derivatives

A new series of 4,5-dihydro-1H-thiochromeno[4,3-d ]pyrimidine derivatives have been designed and synthesized. The antitumor activities of the target compounds have been evaluated in vitro against two human cancer cell lines including A549 (human alveolar adenocarcinoma cell) and H460 (human lung cancer) by MTT assay. Most of the target compounds exhibited significant antitumor activities against A549 and H460 cancer cell lines. The most potent compound 4-(benzo[d][1,3]dioxol-5-yl)-8,9-difluoro-2-(4-methylpiperazin-1-yl)-4, 5-dihydro-1H-thiochromeno[4,3-d]pyrimidine (CH05) (IC50 = 0.44 μM, 3.07 μM) was 2.0 and 8.4 times more active than gefitinib (IC50 = 0.89 μM, 16.81 μM) against A549 and H460 cell lines, respectively.

N1- and N2-Substituted 2-Amino-5,6-dihydro-4(1H)-pyrimidinones (Heterocyclic Compounds, 79)

The reactions of the monosubstituted guanidines 2b-h with methyl acrylate in dimethylformamide or ethanol as solvent preferentially afford 1-substituted 2-amino-5,6-dihydro-4(1H)-pyrimidinones 6b-h.The structures of 1-hexyl- and 1-benzyl-4-pyrimidinones 6c, e and of the picrate of 1-phenylpyrimidinone 6g were proved by comparison with authentic samples, which were prepared from N-substituted ethyl 3-amino-propionates 14c, e and g and cyanamide.Accordingly, 6g is not identical with authentic 2-phenylaminopyrimidinone 7g (prepared from 2-methylthio-4-pyrimidinone 10 and 2-thioxo-4-pyrimidinone 12 respectively, compare.N,N-Disubstituted guanidines 2i-m react with methyl acrylate in dimethylformamide as solvent to afford N2,N2-disubstituted 2-amino-5,6-dihydro-4-(1H)-pyrimidinones 7i-m.Action of morpholine-4-carboxamidine (2l) on methyl acrylate in ethanol yields 2-morpholinopyrimidinone 7l as byproduct and 3-ethoxy-N-propionamide (9l) as mainproduct.Keywords: Acrylic acid methylester, reactions; Guanidines, mono- and N,N-disubstituted; Propionamide, 3-ethoxy-N-; 4(1H)-Pyrimidinones, 2-amino; Pyrimidine-1-propionic acid ethylester, hexahydro-4-oxo-2-thioxo