Pga1 (HCID 5281912)｜Huagongshe

Überblick

Prostaglandin A1 is a prostaglandins A. It is a conjugate acid of a prostaglandin A1(1-).

Namen und Bezeichner

Bevorzugter Name: Pga1
IUPAC: 7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
Englischer Name: PROSTAGLANDIN A1
Summenformel: C20H32O4
Molmasse: 336.47

Namen und Synonyme

prostaglandin A114152-28-4PGA1VYR271N44PDTXSID6013473147-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acidCHEBI:155459-oxo-15S-hydroxy-10Z,13E-prostadienoic acid(13E,15S)-15-hydroxy-9-oxo-Prosta-10,13-dien-1-oic acid7-((1R,2S)-2-((E,3S)-3-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl)heptanoic acidRefChem:869887DTXCID401776026

Weitere Namen anzeigen

Prostaglandin AProstagladin E1C04685pga(sub1)pga(sup1)Prostagladin APROSTAGLANDINS A1prostaglandina(sup1)

Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-Prostaglandin E1-217(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid15a-Hydroxy-9-oxo-10,13E-prostadienoate3-Cyclopentene-1-heptanoic acid, 2-(3-hydroxy-1-octenyl)-5-oxo-15-hydroxy-9-oxoprosta-10,13-dienoic acid15a-Hydroxy-9-oxo-10,13E-prostadienoic acidPGA(sub 1)

Datenbank-Bezeichner

CAS: 14152-28-4
PubChem CID: 5281912
DTXSID: DTXSID601347314
ChEMBL: CHEMBL1084644
ChEBI: CHEBI:15545
UNII: VYR271N44P
EC Number: 682-017-9
Nikkaji: J15.628K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 74,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 13
Schwere Atome: 24
Formalladung: 0
Komplexität: 439

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 43 °C · 43°C
Siedepunkt: 392.93 °C · 392.93°C (rough estimate)
Dichte: 1.0192 · 1.0192 (rough estimate)
Brechungsindex: 1.4434 · 1.4434 (estimate)
storage temp.: -20 °C · -20°C
Löslichkeit: 10 mg/mL, · acetone: 10 mg/mL, clear
Aggregatzustand: White solid.
pka: 4.77 · 4.77±0.10(Predicted)
Farbe: Off-white
Biologische Quelle: synthetic
BRN: 2003401 · 2003401
Stabilität: 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
InChI: 1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChIKey: BGKHCLZFGPIKKU-LDDQNKHRSA-N
SMILES: O=C1[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@H](CCCCC)O)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Sicherheitsdaten

F: 8-10
wgk: 3
hs_code: 2937500000
RTECS-Nr.: GY5977900
safety_code: 22-24/25
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

MeSH Pharmacological Classification · 1 Eintrag

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Tissue LocationsPlatelet

Cellular LocationsExtracellular

Anwendungen · 2 Einträge

BeschreibungProstaglandin A1 (PGA1) was first isolated as a dehydration product of the PGE1 compounds found in human semen. It has been shown to cause renal vasodilation, increased urine sodium excretion, and lowered arterial pressure in hypertensive patients. It also has growth-inhibitory activity on tumor cells; the IC50 value for the inhibition of human ovarian cancer is 7.5 μM.

VerwendenProstaglandin A1 has been shown to inhibit human immunodeficiency virus type 1 (HIV-1) replication in various cell types. In addition, as a precursor to the anti-inflammatory prostaglandins, it activates pro-inflammatory PGD2 receptor CRTH2 initiating the anti-inflammatory response.