Grundinformationen
- Standard-SMILES
CCN(CC)CCNC(=O)c1ccc(N)c(Cl)c1- InChIKey
YEYAKZXEBSVURO-UHFFFAOYSA-N- Summenformel
- C13H20ClN3O
- Durchschnittliche Molmasse
- 269,77 g/mol
- Monoisotopische Masse
- 269,12948994
Überblick
Declopramide is a third-generation DNA repair inhibitor that modulates multi-drug resistance.
Namen und Bezeichner
- Bevorzugter Name
- Declopramide
- IUPAC
- 4-amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide
- Englischer Name
- Declopramide
- Summenformel
- C13H20ClN3O
- Molmasse
- 269.77
Namen und Synonyme
declopramide891-60-14-Amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide4-amino-3-chloro-n-(2-(diethylamino)ethyl)benzamidedeclopramida3-chloro-procainamideDTXSID20862460916GJF577DdeclopramidumOXi-104RefChem:131321DTXCID00811219
Weitere Namen anzeigen
IMO-B4-amino-3-chloro-N-(2-diethylaminoethyl)benzamide4-azanyl-3-chloro-N-(2-diethylaminoethyl)benzamideBenzamide, 4-amino-3-chloro-N-[2-(diethylamino)ethyl]-
3-ChloroprocainamideDeclopramide [INN]UNII-916GJF577DYEYAKZXEBSVURO-UHFFFAOYSA-NSCHEMBL922516orb1700755CHEMBL1618378SCHEMBL30719968
Datenbank-Bezeichner
- CAS
891-60-1- PubChem CID
- 70177
- DTXSID
DTXSID20862460- ChEMBL
CHEMBL1618378- UNII
- 916GJF577D
- Nikkaji
- J1.088.659G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 58,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 259
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 404.2 · 404.2±45.0 °C(Predicted)
- Dichte
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.46(Predicted)
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
Declopramide is a member of the N-substituted benzamide class of DNA repair inhibitors. There are two possible mechanisms of action of declopramide, with one involving (nuclear localizing factor kappaB) NFkB and the other involving the activation of the caspase cascade via the mitochondrial pathway, both of which lead to cell death (apoptosis). Declopramide may also increase the susceptibility of cancer cells to traditional radiation and/or chemotherapy treatment. It is proposed that G2/M cell cycle block is induced by pathways other than the protein 53 (p53) pathway.
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