Piperlongumine
Grundinformationen
- CAS
20069-09-4- Standard-SMILES
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC- InChIKey
VABYUUZNAVQNPG-BQYQJAHWSA-N- Summenformel
- C17H19NO5
- Durchschnittliche Molmasse
- 317,34 g/mol
- Monoisotopische Masse
- 317,12632271
Überblick
Piplartine is a member of cinnamamides and a dicarboximide.
Namen und Bezeichner
- Bevorzugter Name
- Piperlongumine
- IUPAC
- 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
- Englischer Name
- PIPERLONGUMINE
- Summenformel
- C17H19NO5
- Molmasse
- 317.34
Namen und Synonyme
PiperlonguminePiplartine20069-09-4SGD66V4SVJ1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one2(1H)-Pyridinone, 5,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (E)-1-((E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl)-2,3-dihydropyridin-6-oneRefChem:455155,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-2(1H)pyridinone(E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-oneMFCD000757062(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-
Weitere Namen anzeigen
ongPPLGMuminePiperLongumineacryloyl)PIPERLONGUMINPiperlorgumia
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,2,5,6-tetrahydropyridin-2-oneCHEBI:8241ST079382BRD2293PiplartinBRD-2293(E)-1-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2(1H)-onePiplartine; (E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one
Datenbank-Bezeichner
- CAS
20069-09-4- PubChem CID
- 637858
- DTXSID
DTXSID801029762- ChEMBL
CHEMBL465843- ChEBI
CHEBI:8241- UNII
- SGD66V4SVJ
- EC Number
- 812-597-2
- Nikkaji
- J1.741.941B、J14.252B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 65,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 473
Experimentelle und physikochemische Eigenschaften
Melting Point124 °C
Physical DescriptionSolid
Collision Cross Section
174.86 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
176.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 124 °C · 124°C
- Siedepunkt
- 475.6 · 475.6±45.0 °C(Predicted)
- Dichte
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 5 mg/mL · DMSO: ≥5mg/mL at warmed to 60°C
- pka
- -1.88 · -1.88±0.20(Predicted)
- Aggregatzustand
- powder
- Farbe
- white to beige
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
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
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932209090
- RTECS-Nr.
- UU7785850
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Anwendungen
BeschreibungA piperidinone alkaloid present in Piper longum, the structure has been shown to be N-(3:4:5-trimethoxycinnamoyl)-Lls-piperidin-2-one. In the plant, the base occurs mainly in the roots.
VerwendenPiperlongumine (PL), a new alkaloid abundantly present in Piper longum fruits strongly inhibited platelet cell aggregation. It may have anti-cancer properties. It selectively targets and kills cancer cells but leaving normal cells unharmed.
Zugehörige Reaktionen
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