Nicotinsure, Verbindung mit 3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purin-2,6-dion (1:1)

nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1) Struktur
10058-07-8
CAS-Nr.
10058-07-8
Bezeichnung:
Nicotinsure, Verbindung mit 3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purin-2,6-dion (1:1)
Englisch Name:
nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
Synonyma:
1,3-Dimethyl-7-(2-((pyridin-3-ylmethyl)amino)ethyl)-1H-purine-2,6(3H,7H)-dione nicotinate;nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1);nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
CBNumber:
CB6941592
Summenformel:
C15H18N6O2.C6H5NO2
Molgewicht:
437.45182
MOL-Datei:
10058-07-8.mol

Nicotinsure, Verbindung mit 3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purin-2,6-dion (1:1) Eigenschaften

Schmelzpunkt:
159-160°
Siedepunkt:
549.62°C (rough estimate)
Dichte
1.3409 (rough estimate)
Brechungsindex
1.6800 (estimate)

Sicherheit

Toxizität LD50 in mice (mg/kg): 2530 orally, 470 i.v. (Suter, Zutter, 1973)

Nicotinsure, Verbindung mit 3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purin-2,6-dion (1:1) Chemische Eigenschaften,Einsatz,Produktion Methoden

Originator

Teonicon, Bracco, Italy ,1975

Manufacturing Process

77 g 7-(β-bromoethyl)-theophylline (C.A. 50, 12071f) and 57.8 g 3picolylamine in 750 ml toluene were refluxed 16 hours with vigorous agitation. The 3-picolylamine hydrobromide formed was filtered off, and the filtrate was evaporated in a vacuum to about one-third of its original volume. About 300 to 400 ml diisopropyl ether were added, and the solution was seeded with a few pure crystals of the desired product.
7-(β-3'-picolylaminoethyl)-theophylline crystallized over a period of a few hours. It was filtered off with suction, washed with a little diisopropyl ether, and dried. The yield of crude product was 69.3 g (82%), its MP 103° to 106°C. The MP was 111° to 112°C after recrystallization from isopropyl acetate. The compound was identified by microanalysis.
39.3 g 7-(β-3'-picolylaminoethyl)-theophylline were dissolved in 300 ml boiling isopropanol, and 15.4 g nicotinic acid were added to the solution in which the acid promptly dissolved. The nicotinate formed crystallized after a short time. It was filtered with suction and dried. The yield was 52.3 g (95.5%). The MP of 159° to 160°C was not significantly changed by recrystallization from ethanol.

Therapeutic Function

Coronary vasodilator

Nicotinsure, Verbindung mit 3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purin-2,6-dion (1:1) Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


Nicotinsure, Verbindung mit 3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purin-2,6-dion (1:1) Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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  • nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
  • 1,3-Dimethyl-7-(2-((pyridin-3-ylmethyl)amino)ethyl)-1H-purine-2,6(3H,7H)-dione nicotinate
  • nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
  • 10058-07-8
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