74857-22-0

Basic information

• Product Name: 1,1′-Trimethylenedi-theobromine
• Synonyms: 1,1′-(1,3-Propanediyl)bis[3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;1,1′-Trimethylenedi-theobromine;Bisdionin C;Pentoxifylline Impurity K;Pentoxifylline EP impurity K
• CAS NO: 74857-22-0
• Molecular Formula: C17H20N8O4
• Molecular Weight: 400.3919
• Mol File: 74857-22-0.mol
• Article Data: 4

Chemical Properties

• Appearance: white to beige/
• Storage Temp.: 2-8°C
• Solubility: DMSO: soluble1mg/mL, clear (warmed)
• CAS DataBase Reference: 1,1′-Trimethylenedi-theobromine(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1′-Trimethylenedi-theobromine(74857-22-0)
• EPA Substance Registry System: 1,1′-Trimethylenedi-theobromine(74857-22-0)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 74857-22-0(Hazardous Substances Data)

Usage

Uses

Bisdionin C is the derivative of Theobromine (T343800), which is a metabolite of Caffeine.

Upstream product

• 83-67-0 theobromine / 
• 627-31-6 1,3-Diiodopropane 
• 109-70-6 1.3-chlorobromopropane 
• 6940-76-7 1-iodo-3-chloro-propane 
• 109-64-8 1,3-dibromo-propane 

Relevant articles and documents

Preparation and NMR study of 7,7'-(α,ω-alkanediyl)bis[theophylline], 1,1'-(α,ω-alkanediyl)bis[theobromine], and 1,1'-(α,ω-alkanediyl)bis[3-methyluracil]

The treatment of theophylline, theobromine, and 3-methyluracil with X(CH2)(n)X (X = Br or I, n = 1-12) in N,N-dimethylformamide containing sodium hydride gave the corresponding 7,7'-(α,ω-alkanediyl)bis[theophylline], 1,1'-(α,ω-alkanediyl)bis[theobromine], and 1,1'-(α,ω-alkanediyl)bis[3-methyluracil]. The interaction of the theophylline, theobromine, and 3-methyluracil rings of these compounds was studied based on their 1H NMR spectra, and stacking of the two purine rings of 7,7'-(α,ω-alkanediyl)bis[theophylline] was observed.

INHIBITOR COMPOUNDS

The present invention relates to compounds and uses of compounds which interact with chitinase enzymes, in particular inhibition of those enzymes.