961-48-8

Basic information

• Product Name: 1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(1-piperidinyl)-
• CAS NO: 961-48-8
• Molecular Formula: C₁₂H₁₇N₅O₂
• Molecular Weight: 263.2957
• Mol File: 961-48-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 489.7°C at 760 mmHg
• Flash Point: 249.9°C
• Density: 1.349g/cm³
• Vapor Pressure: 9.78E-10mmHg at 25°C
• Refractive Index: 1.613
• CAS DataBase Reference: 1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione(961-48-8)
• EPA Substance Registry System: 1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione(961-48-8)

Safety Data

• Hazardous Substances Data: 961-48-8(Hazardous Substances Data)

Usage

Chemical structure

A complex structure containing a purine base, two methyl groups, and a piperidine ring.

Purine base

A structural component of DNA and RNA.

Methyl groups

Two methyl groups are attached to the 1 and 3 positions of the purine ring.

Piperidine ring

A five-membered nitrogen-containing ring attached to the 8th position of the purine ring.

Biological activity

Potential biological activity due to its unique structure.

Medicinal chemistry research

Could be of interest in medicinal chemistry research due to its potential biological activity.

Further investigation

Properties and potential applications would need to be further investigated through experimentation and testing.

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Relevant articles and documents

Synthesis and in vitro evaluation of anti-inflammatory, antioxidant, and anti-fibrotic effects of new 8-aminopurine-2,6-dione-based phosphodiesterase inhibitors as promising anti-asthmatic agents

Phosphodiesterase (PDE) inhibitors are currently an extensively studied group of compounds that can bring many benefits in the treatment of various inflammatory and fibrotic diseases, including asthma. Herein, we describe a series of novel N’-phenyl- or N’-benzylbutanamide and N’-arylidenebutanehydrazide derivatives of 8-aminopurine-2,6-dione (27–43) and characterized them as prominent pan-PDE inhibitors. Most of the compounds exhibited antioxidant and anti-inflammatory activity in lipopolysaccharide (LPS)-induced murine macrophages RAW264.7. The most active compounds (32–35 and 38) were evaluated in human bronchial epithelial cells (HBECs) derived from asthmatics. To better map the bronchial microenvironment in asthma, HBECs after exposure to selected 8-aminopurine-2,6-dione derivatives were incubated in the presence of two proinflammatory and/or profibrotic factors: transforming growth factor type β (TGF-β) and interleukin 13 (IL-13). Compounds 32–35 and 38 significantly reduced both IL-13- and TGF-β-induced expression of proinflammatory and profibrotic mediators, respectively. Detailed analysis of their inhibition preferences for selected PDEs showed high affinity for isoenzymes important in the pathogenesis of asthma, including PDE1, PDE3, PDE4, PDE7, and PDE8. The presented data confirm that structural modifications within the 7 and 8 positions of the purine-2,6-dione core result in obtaining preferable pan-PDE inhibitors which in turn exert an excellent anti-inflammatory and anti-fibrotic effect in the bronchial epithelial cells derived from asthmatic patients. This dual-acting pan-PDE inhibitors constitute interesting and promising lead structures for further anti-asthmatic agent discovery.