Pgj2

HCID 5280884CAS 60203-57-8
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Grundinformationen

Standard-SMILES
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChIKey
UQOQENZZLBSFKO-POPPZSFYSA-N
Summenformel
C20H30O4
Durchschnittliche Molmasse
334,4 g/mol
Monoisotopische Masse
334,21440943

Namen und Bezeichner

Bevorzugter Name
Pgj2
IUPAC
(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
Englischer Name
PROSTAGLANDIN J2
Summenformel
C20H30O4
Molmasse
334.45

Namen und Synonyme

prostaglandin J2PGJ29-Deoxy-delta-9-prostaglandin D260203-57-89-Deoxy-delta-9-pgd2DTXSID4041105CHEBI:2748511-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acidProsta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (5Z,13E,15S)-(Z)-7-((1S,5R)-5-((E,3S)-3-hydroxyoct-1-enyl)-4-oxo-1-cyclopent-2-enyl)hept-5-enoic acid(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acidRefChem:928953
Weitere Namen anzeigen
Aids058772Aids-058772Prostaglandin J2 (PGJ2)Prostaglandin J2 (Standard)Prostaglandin J2, PGD2 analog9-deoxy-delta-9-prostaglandind2Prostaglandin J2 Lipid Maps MS Standard
DTXCID2021105PGJ2 (Prostaglandin J2)(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acidCHEMBL1397260(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oic acidProstaglandin J2 Lipid Maps(R) MS StandardSR-050000023308-epi-15-J2t-IsoP

Datenbank-Bezeichner

CAS
60203-57-8
PubChem CID
5280884
DTXSID
DTXSID4041105
ChEMBL
CHEMBL1397260
ChEBI
CHEBI:27485
Nikkaji
J39.531E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,6
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
12
Schwere Atome
24

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid
Collision Cross Section188.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

Physikochemische Eigenschaften

Siedepunkt
521.7 · 521.7±50.0 °C(Predicted)
Dichte
1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
Löslichkeit
100 mg/ml · DMF: >100 mg/ml (from PGD2); DMSO: >50 mg/ml (from PGD2); Ethanol: >75 mg/ml (from PGD2); PBS pH 7.2: >2.7 mg/ml (from 15-deoxy-.DEL
pka
4.75 · 4.75±0.10(Predicted)
Aggregatzustand
Liquid

Sicherheit und Regulatorisches

Sicherheitsdaten

risk_code
20/21/22-36/37/38-67-66-36-11
hazard_code
Xn,Xi,F
safety_code
26-36-33-29-16

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Tissue LocationsNeuron；Platelet
Cellular LocationsExtracellular；Membrane
Metabolite Pathways · 1 Eintrag

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 41 pathways, visit the HMDB page for details

Anwendungen · 2 Einträge

BeschreibungProstaglandin J2 (PGJ2) is formed from PGD2 by the elimination of the C-9 hydroxyl group, a process which is accelerated by the presence of albumin. PGJ2 inhibits platelet aggregation with an IC50 of about 5-10 nM. PGJ2 has antimitotic and antiproliferative effects on a variety of cultured normal cells and tumor cell lines. However, this activity has been attributed to further metabolites of PGJ2 and not the parent compound itself.

VerwendenPGJ2 (Prostaglandin J2) is a Prostaglandin D2 metabolite that has shown potent anti-neoplastic and antiviral activity.

Anbieter17 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of prostaglandins J that consists of prosta-5,9,13-trien-1-oic acid substituted by an oxo group at position 11 and a hydroxy group at position 15 (the 5Z,13E,15S stereoisomer).

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