3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
Grundinformationen
- CAS
129075-73-6- Standard-SMILES
O=C1NCCc2c(OCCCCN3CCCCC3)cccc21- InChIKey
RVOUDNBEIXGHJY-UHFFFAOYSA-N- Summenformel
- C18H26N2O2
- Durchschnittliche Molmasse
- 302,4 g/mol
- Monoisotopische Masse
- 302,19942808
Namen und Bezeichner
- Bevorzugter Name
- 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
- IUPAC
- 5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
- Englischer Name
- DPQ
- Summenformel
- C18H26N2O2
- Molmasse
- 302.41
Namen und Synonyme
129075-73-63,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone1(2H)-Isoquinolinone, 3,4-dihydro-5-[4-(1-piperidinyl)butoxy]-5007H57E2L1(2H)-Isoquinolinone, 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-3,4-dihydro-5-[4-(1-piperidinyl)butoxy]-1(2h)-isoquinolinoneRefChem:91102dpqDpq [MI]5-(4-(Piperidin-1-yl)butoxy)-3,4-dihydroisoquinolin-1(2H)-one5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-oneUNII-5007H57E2L
Weitere Namen anzeigen
DMEM(Low Glucose)DPQ, PARP-1 inhibitorPARP Inhibitor III, DPQ - CAS 129075-73-6 - Calbiochem3,4-DIHYDRO-5[4-(1-PIPERINDINYL)BUTOXY]-1(2H)-ISOQUINOLINE3,4-DIHYDRO-5[4-(1-PIPERIDINYL)BUTOXYL]-1(2H)-ISOQUINOLINE
5-[4-(1-Piperidinyl)-butyloxy]-1,2,3,4-tetrahydroisoquinolin-1-oneCHEMBL1273363,4-dihydro-5-[4-(1-piperidinyl)butoxyl]-1(2h)-isoquinolinone5-[4-(Piperidin-1-Yl)butoxy]-3,4-Dihydroisoquinolin-1(2h)-OnePARP Inhibitor III, DPQSCHEMBL214027orb1689332SCHEMBL29478301
Datenbank-Bezeichner
- CAS
129075-73-6- PubChem CID
- 9948349
- DTXSID
DTXSID10433229- ChEMBL
CHEMBL127336- UNII
- 5007H57E2L
- EC Number
- 635-568-4
- Nikkaji
- J1.676.392F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 355
Physikochemische Eigenschaften
- Schmelzpunkt
- 107 · 107-109°
- Siedepunkt
- 528.8 · 528.8±50.0 °C(Predicted)
- Dichte
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO: Soluble
- pka
- 14.54 · 14.54±0.20(Predicted)
- Aggregatzustand
- solid
- Farbe
- White to off-white
- Biologische Quelle
- synthetic (organic)
- InChI
- 1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
- InChIKey
- RVOUDNBEIXGHJY-UHFFFAOYSA-N
- SMILES
- N3(CCCCC3)CCCCOc1c2c(ccc1)C(=O)NCC2
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 38 reports by companies from 1 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
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.
Anwendungen
BeschreibungThe poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. DPQ is a potent inhibitor of PARPs, inhibiting PARP1 with an IC50 value of 40 nM. It is approximately 10-fold less potent against PARP2. DPQ can be used in either cells or in animals.
VerwendenDPQ has been used as a PARP1 (poly(ADP-ribose) polymerase 1) inhibitor in in vivo studies to determine the loss of γ-H2AX (H2A histone family member X) upon irradiation.
Anbieter
Wird geladen…
Öffentliche Anfragen
Wird geladen…
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…