15-keto-PGF2alpha

HCID 5280887CAS 35850-13-6

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Grundinformationen

Standard-SMILES: CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIKey: LOLJEILMPWPILA-AMFHKTBMSA-N
Summenformel: C20H32O5
Durchschnittliche Molmasse: 352,5 g/mol
Monoisotopische Masse: 352,22497412

Namen und Bezeichner

Bevorzugter Name: 15-keto-PGF2alpha
IUPAC: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
Englischer Name: 15-KETO PROSTAGLANDIN F2ALPHA
Summenformel: C20H32O5
Molmasse: 352.47

Namen und Synonyme

15-Keto-PGF2alpha35850-13-615-keto-prostaglandin F2a15-Keto-prostaglandin F2alpha15-Ketoprostaglandin F2alpha15-Keto-PGF2a15-Keto-prostaglandin F2 alpha9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acidDTXSID801317581(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acidProsta-5,13-dien-1-oic acid, 9,11-dihydroxy-15-oxo-, (5Z,9alpha,11alpha,13E)-(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E)-3-oxooct-1-enyl)cyclopentyl)hept-5-enoic acid

Weitere Namen anzeigen

15-keto PGF2α15-ketoprostaglandin F2A15-keto Prostaglandin F2α15-Ketoprostaglandinef2alpha15-KETO PROSTAGLANDIN F2ALPHA15-keto Prostaglandin F2 MaxSpecStandard15-keto Prostaglandin F2α MaxSpec? Standard15-keto Prostaglandin F2α Lipid Maps MS Standard15-keto Prostaglandin F2α Lipid Maps? MS Standard

RefChem:437487DTXCID40174738815-oxo-prostaglandin F2alpha15-Oxo PGF-2alpha15-oxoprostaglandin F2alphaCHEBI:28442(5Z,13E)-9alpha,11alpha-dihydroxy-15-oxoprosta-5,13-dien-1-oic acid15-keto Prostaglandin F2|A

Datenbank-Bezeichner

CAS: 35850-13-6
PubChem CID: 5280887
DTXSID: DTXSID801317581
ChEBI: CHEBI:28442
EC Number: 112-152-6
Nikkaji: J366.794D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 94,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 12
Schwere Atome: 25
Formalladung: 0
Komplexität: 469

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Physikochemische Eigenschaften

Siedepunkt: 535.2 · 535.2±50.0 °C(Predicted)
Dichte: 1.149 · 1.149±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
Löslichkeit: 100 mg/ml · 100 mg/ml (from PGF2a) in DMF, 100 mg/ml (from PGF2a) in DMSO, 100 mg/ml (from PGF2a) in Ethanol
Aggregatzustand: solution
pka: 4.76 · 4.76±0.10(Predicted)
Farbe: Colorless to light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H360F (100%): May damage fertility [Danger Reproductive toxicity]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Repr. 1B (100%)

Sicherheitsdaten

wgk: WGK 1
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Repr. 1BSTOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular；Membrane

Anwendungen · 1 Eintrag

Verwenden15-keto Prostaglandin F2α (15-keto PGF2α) is the first metabolite of PGF2α. in the 15-hydroxy PGDH pathway. It is one of the critical components in the goldfish and Atlantic salmon postovulatory pheromone. 15-keto PGF2α stimulates the male goldfish and salmon olfactory receptors with detection thresholds of 10-12 and 10-8 M, respectively. 15-keto PGF2α is 10-fold less active than PGF2α in decreasing rabbit intraocular pressure.