Basic information
- CAS
60203-57-8- 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- Molecular formula
- C20H30O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.21440943
Names & identifiers
- Preferred name
- Pgj2
- IUPAC
- (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
- English name
- PROSTAGLANDIN J2
- Molecular formula
- C20H30O4
- Molecular weight
- 334.45
Names & synonyms
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
Show more names
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
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section188.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
Physicochemical properties
- Boiling point
- 521.7 · 521.7±50.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 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)
- form
- Liquid
- color
- Colorless to light yellow
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
Safety & regulation
Safety data
- risk_code
- 20/21/22-36/37/38-67-66-36-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi,F
- safety_code
- 26-36-33-29-16
- Hazard statements
- H225-H319-H336
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Tissue LocationsNeuron；Platelet
Cellular LocationsExtracellular；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 41 pathways, visit the HMDB page for details
Applications
DescriptionProstaglandin 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.
UsesPGJ2 (Prostaglandin J2) is a Prostaglandin D2 metabolite that has shown potent anti-neoplastic and antiviral activity.
Suppliers17 total
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]
Related reactions
1 records
Compound notes
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