23146-05-6

Basic information

• Product Name: 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
• Synonyms: 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;3,7-Dihydro-7-(2-bromoethyl)-1,3-dimethyl-1H-purine-2,6-dione;7-(2-Bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;7-(2-Bromoethyl)theophylline;Einecs 245-454-2;7-(2-bromoethyl)-the;7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione;7-(2-Bromoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
• CAS NO: 23146-05-6
• Molecular Formula: C₉H₁₁BrN₄O₂
• Molecular Weight: 287.11324
• EINECS: 245-454-2
• Mol File: 23146-05-6.mol
• Article Data: 5

Chemical Properties

• Melting Point: 144-144.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 472.4 °C at 760 mmHg
• Flash Point: 239.5 °C
• Appearance: /
• Density: 1.76g/cm³
• Vapor Pressure: 4.28E-09mmHg at 25°C
• Refractive Index: 1.696
• PKA: 0.17±0.70(Predicted)
• CAS DataBase Reference: 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione(23146-05-6)
• EPA Substance Registry System: 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione(23146-05-6)

Safety Data

• Hazardous Substances Data: 23146-05-6(Hazardous Substances Data)

Usage

General Description

7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, also known as xanthine bromoethylate, is a chemical compound with the molecular formula C9H11BrN4O2. It is a derivative of xanthine and is primarily used as a pharmaceutical intermediate for the synthesis of various drugs. 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is a potent inhibitor of phosphodiesterase (PDE) enzymes and has potential applications in the treatment of cardiovascular diseases, asthma, and other respiratory disorders. It is also being investigated for its potential use as a radiopharmaceutical in positron emission tomography (PET) imaging studies. Additionally, it has been found to possess antiviral and anticancer properties, making it an intriguing compound for further research and development in the pharmaceutical and medical fields.

InChI:InChI=1/C9H11BrN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3

Upstream product

• 106-93-4 ethylene dibromide 
• 58-55-9 theophylline 

Downstream Products

• 81996-46-5 KMUP-1 
• 421556-14-1 7-[2-[4-(2-phenyl)-piperazinyl]ethyl]-1,3-dimethylxanthine 
• 1307234-29-2 KMUP-I 
• 101281-99-6 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethanesulfonyl]-benzoic acid 
• 101281-93-0 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethanesulfinyl]-benzoic acid 
• 98148-04-0 1,3-dimethyl-7-(2-phenylmethanesulfonyl-ethyl)-3,7-dihydro-purine-2,6-dione 
• 109403-41-0 7-(2-benzenesulfonyl-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
• 3810-41-1 1,3-dimethyl-7-(2-phenylmethanesulfinyl-ethyl)-3,7-dihydro-purine-2,6-dione 
• 109403-43-2 7-(2-benzenesulfinyl-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
• 3736-06-9 7-(2-methanesulfinyl-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
• 5738-22-7 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethylmercapto]-benzoic acid 
• 3039-97-2 (-)-threo-7-<2-(1-Methyl-2-hydroxy-2-phenyl-ethylamino)-ethyl>-theophyllin-hydrochlorid 
• 3039-97-2 (+)-threo-7-<2-(1-Methyl-2-hydroxy-2-phenyl-ethylamino)-ethyl>-theophyllin Hydrochlorid 
• 3039-97-2 (+/-)-threo-7-<2-(1-Methyl-2-hydroxy-2-phenyl-ethylamino)-ethyl>-theophyllin Hydrochlorid 

Relevant articles and documents

THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE

The present invention relates to theophylline derivatives having general formula (I) agronomic compositions containing said compounds having formula (I) and analogous compounds having formula (XVI) and their use for the control of nematodes in agricultural crops. These compounds advantageously prove to be both effective against parasites and free of phytotoxicity.

Synthesis and characterization of novel 1,2,3-triazole-linked theophylline and coumarin s-triazines

A series of novel s-triazine-1,2,3-triazole-theophylline and s-triazine-1,2,3-triazole-coumarin generation-0 dendrimers has been synthesized and characterized by FT-IR, 1H and 13C NMR, and mass-spectral methods. Some selected compounds have been evaluated for antibacterial and antifungal activity against a variety of strains and for anti-cancer activity against 60 human cancer cell lines.

New antihistamines: Substituted piperazine and piperidine derivatives as novel H1-antagonists

Structural manipulation of polycyclic piperazinyl imide serotonergic agents led to the synthesis of compound 8, 2-[4-[4-[bis(4- fluorophenyl)methyl]-1-piperazinyl]butyl]-4,4a,5,5a,6,6a-hexa-hydro-4,6- ethenocycloprop[f]isoindole-1,3(2H,3aH)-dione, which demonstrated good H1- antagonist activity. Substitution of a xanthinyl moiety for the polycyclic imide group led to the identification of novel xanthinyl-substituted piperazinyl and piperidinyl derivatives with potent antihistamine H1- activity without the undesirable antidopaminergic activity of 8. One compound, 24, 7-[3-[4-(diphenylmethoxy)-1-piperidinyl]propyl]-3,7-dihydro- 1,3-dimethyl-1H-pyrine-2,6-dione (WY-49051), is a potent, orally active H1- antagonist with a long duration of action and a favorable central nervous system profile.