Dpcpx
Grundinformationen
- CAS
102146-07-6- Standard-SMILES
CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O- InChIKey
FFBDFADSZUINTG-UHFFFAOYSA-N- Summenformel
- C16H24N4O2
- Durchschnittliche Molmasse
- 304,39 g/mol
- Monoisotopische Masse
- 304,18992602
Überblick
DPCPX is an oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and an adenosine A1 receptor antagonist. It is functionally related to a 7H-xanthine.
Namen und Bezeichner
- Bevorzugter Name
- Dpcpx
- IUPAC
- 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
- Englischer Name
- 8-Cyclopentyl-1,3-dipropylxanthine
- Summenformel
- C16H24N4O2
- Molmasse
- 304.39
Namen und Synonyme
8-Cyclopentyl-1,3-dipropylxanthineDPCPX102146-07-61,3-Dpcpx1,3-dipropyl-8-cyclopentylxanthinePD-1169488-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dionePD-116,9489PTP4FOI9E8-cyclopentyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purin-2,6-dioneCHEBI:73282
Weitere Namen anzeigen
PD 116,9488-CYCLOPENTYL-1PD-116948(DPCPX)DPCPX, PD 116,9483-DIPROPYLXANTHINEDPCPX, A1 antagonistDPCPX, 10 mM in DMSOLevodropropizine Impurity 15
DTXSID50144706RefChem:590425DTXCID4067197634-445-28-cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dionedipropylcyclopentylxanthineGNF-PF-2224MFCD00055117
Datenbank-Bezeichner
- CAS
102146-07-6- PubChem CID
- 1329
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 69,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 436
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 178 °C · 178°C
- Siedepunkt
- 535.1 · 535.1±42.0 °C(Predicted)
- Dichte
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- Löslichkeit
- 10 mg/mL · DMSO: >10 mg/mL
- Aggregatzustand
- solid
- pka
- 9.01 · 9.01±0.70(Predicted)
- Farbe
- white
- Stabilität
- 4 °C · Store tightly sealed at RT; Solutions at 4°C for several days
- InChI
- 1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
- InChIKey
- FFBDFADSZUINTG-UHFFFAOYSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds that bind to and block the stimulation of ADENOSINE A1 RECEPTORS.
Anwendungen
Verwenden8-Cyclopentyl-1,3-dipropylxanthine has been used as an adenosine receptor (A1AR) antagonist in macrophages and human umbilical vein endothelial cells (HUVECs). It has also been used as A1AR antagonist in MCF-7 breast cancer cell line to test its anti-cancer effect.
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