Enprofyllin

d-4028 · nilyph · Enprofilina · ENPROFYLLINE · ENPROPHYLLINE · Enprofyllilie · Enprofyllinum · 3-PROPYLXANTHINE

Identifikatoren & physikalische Daten

CAS No.	41078-02-8
Summenformel	C8H10N4O2
Durchschnittliche Molmasse	194,19 g/mol
Monoisotopische Masse	194,08037556 g/mol
SMILES	CCCn1c(=O)[nH]c(=O)c2[nH]cnc21
InChIKey	SIQPXVQCUCHWDI-UHFFFAOYSA-N
PubChem CID	1676
ChEMBL	CHEMBL279898
ChEBI	CHEBI:126237
EC No.	255-201-8
DTXSID	DTXSID9045186
Lokaler Name	Enprofyllin

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	78,1
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	268
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)	-0.20.33
Löslichkeit	5.68e+00 g/L>29.1 [ug/mL] (The mean of the results at pH 7.4)DMSO: soluble
Schmelzpunkt	287-289 °C287 - 289 °C
Physical Description	Solid
Dichte	1.38 g/cm3
Lagerbedingungen	2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	10.26±0.20(Predicted)
Farbe	white
CAS Datenbank	41078-02-8

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
RTECS-Nr.	UO8439700
R-Sätze (R)	20/21/22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	36

Anwendungen & Verwendung

Beschreibung

3-Propylxanthine is a xanthine derivative that antagonizes adenosine receptors (Kis = 44, 32, and 6.3 μM for A1, A2A, and A2B, respectively) and cAMP phosphodiesterase (Ki = 42 μM). Through these actions, 3-propylxanthine induces smooth muscle relaxation, blocks smooth muscle contraction and VEGF secretion driven by adenosine receptor agonists, and reduces bronchial hyperresponsiveness.

Verwenden

Enprofylline is a xanthine lacking adenosine receptor antagonism.