Prostaglandin D2
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Grundinformationen
- CAS
41598-07-6- Standard-SMILES
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
BHMBVRSPMRCCGG-OUTUXVNYSA-N- Summenformel
- C20H32O5
- Durchschnittliche Molmasse
- 352,5 g/mol
- Monoisotopische Masse
- 352,22497412
Namen und Bezeichner
- Bevorzugter Name
- Prostaglandin D2
- IUPAC
- (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
- Englischer Name
- PROSTAGLANDIN D2
- Summenformel
- C20H32O5
- Molmasse
- 352.47
Namen und Synonyme
prostaglandin D2PGD241598-07-611-Dehydroprostaglandin F2-alphaBRN 217062311-Dehydroprostaglandin F2alphaRXY07S6CZ211-Dehydroprostaglandin F2 alphaDTXSID30897162(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
Weitere Namen anzeigen
PGDSProstaglandin D?PROSTAGLANDINS D22PROSTAGLANDIN D2PGD2 (Prostaglandin D2)RP23-47P18.11-006, 21kDa11-dehydroprostaglandinf2-alpha
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acidCHEBI:15555(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acidProsta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)-D2, Prostaglandin11 Dehydroprostaglandin F2alpha11 Dehydroprostaglandin F2 alphaF2alpha, 11-Dehydroprostaglandin
Datenbank-Bezeichner
- CAS
41598-07-6- PubChem CID
- 448457
- DTXSID
DTXSID30897162- ChEMBL
CHEMBL1235252- ChEBI
CHEBI:15555- UNII
- RXY07S6CZ2
- EC Number
- 636-995-9
- Nikkaji
- J16.416J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 469
Experimentelle und physikochemische Eigenschaften
Melting Point56 - 57 °C
Physical DescriptionSolid
Collision Cross Section
196.63 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
192.4 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；186.17 Ų [M-H2O-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
189.4 Ų [M-H]-；195.4 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 68 °C · 68°C
- Siedepunkt
- 406.07 °C · 406.07°C (rough estimate)
- Dichte
- 1.0601 · 1.0601 (rough estimate)
- Brechungsindex
- 1.612 · 1.6120 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly), THF (Slightly)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Repr. 1B (100%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- RTECS-Nr.
- UK7930000
- risk_code
- 60-22
- hazard_code
- T
- safety_code
- 53-22-26-36
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 OralRepr. 1B
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdipose Tissue；Brain；Epidermis；Liver；Neuron；Platelet；Smooth Muscle；Spleen
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite Pathways
Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 43 pathways, visit the HMDB page for details
Anwendungen
BeschreibungProstaglandin D2 (PGD2) is the major eicosanoid product of mast cells and is released in large quantities during allergic and asthmatic anaphylaxis. Mastocytosis patients produce excessive amounts of PGD2, which causes vasodilation, flushing, hypotension, and syncopal episodes. PGD2 is also produced in the brain via an alternative pathway involving a soluble, secreted PGD-synthase also known as β-trace. In the brain, PGD2 produces normal physiological sleep and lowering of body temperature. Further pharmacological actions include inhibition of platelet aggregation and relaxation of vascular smooth muscle. PGD2 inhibits human ovarian tumor cell proliferation with an IC50 of 6.8 μM.
VerwendenProstaglandin D2 is a fatty acid compound present in the human body. Elevated levels of localized Prostaglandin D2 has been linked to hair loss and growth inhibition. It has also been seen to contribute to the activity of allergic asthma.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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