15-Deoxy-delta12,14-prostaglandin
Grundinformationen
- CAS
87893-55-8- Standard-SMILES
CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O- InChIKey
VHRUMKCAEVRUBK-GODQJPCRSA-N- Summenformel
- C20H28O3
- Durchschnittliche Molmasse
- 316,4 g/mol
- Monoisotopische Masse
- 316,20384475
Überblick
15-deoxy-Delta(12,14)-prostaglandin J2 is a prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. It has a role as a metabolite, an insulin-sensitizing drug and an electrophilic reagent. It is functionally related to a prostaglandin J2. It is a conjugate acid of a 15-deoxy-Delta(12,14)-prostaglandin J2(1-).
Namen und Bezeichner
- Bevorzugter Name
- 15-Deoxy-delta12,14-prostaglandin
- IUPAC
- (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
- Englischer Name
- 15D-PGJ2
- Summenformel
- C20H28O3
- Molmasse
- 316.43
Namen und Synonyme
87893-55-815-deoxy-delta12,14-prostaglandin J215-Dpgj2delta12,14-PGJ 2J694.826J(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acidprosta-5,9,12,14-tetraen-1-oic acid, 11-oxo-, (5Z,12E,14E)-ALI977775J15-Deoxy-delta12,14-prostaglandinDTXSID104370611-oxo-5Z,9,12E,14E-prostatetraenoateRefChem:1057532
Weitere Namen anzeigen
15d-PGJ?15-deoxy-Δ-1215-deoxy-Δdelta12,14-Pgj 215-Deoxy-Delta1214-Prostaglandin J215-Deoxy-Δ12,14-PGJ212,14-prostaglandin J2
DTXCID902370615d-PGJ215-Deoxy-delta-12,14-prostaglandin J215-Deoxy-PGJ215-deoxy-delta-12,14-PGJ2(Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acidCHEMBL48247715-deoxy-| currency-12,14-Prostaglandin J2
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 495
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
LogP3.983
Physical DescriptionSolid
Collision Cross Section
186.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
192.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Flammpunkt
- -9 ℃ · -9℃
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Soluble in Methyl acetate (supplied pre-dissolved - 1mg/ml)
- Aggregatzustand
- methyl acetate solution
- Farbe
- Colorless to light yellow
- InChI
- 1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 1
- ridadr
- UN 1231 3/PG 2
- risk_code
- 11-36/38-66-67-36
- hazard_code
- F,Xi
- safety_code
- 16-26-29-33-36/37/39
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Metabolite PathwaysAcetaminophen Action Pathway
Anwendungen
Verwenden15-Deoxy-Δ12,14-prostaglandin J2 has been used: to study its effect on lipid accumulation, viability/mitochondrial activity, and amount of vasculature in vascularized adipose tissue model as a peroxisome proliferator-activated receptor (PPARγ) agonist to activate intestinal fatty acid binding protein (I-FABP)-PPARγ pathway as a supplement in culture medium for induced neural stem/progenitor cells (NSPCs) differentiation
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