Prostaglandin K1
Basic information
- CAS
69413-73-6- Standard SMILES
CCCCC[C@H](O)/C=C/[C@H]1C(=O)CC(=O)[C@@H]1CCCCCCC(=O)O- InChIKey
KJWZYMMLVHIVSU-IYCNHOCDSA-N- Molecular formula
- C20H32O5
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.22497412
Overview
PGK1 is a prostanoid.
Names & identifiers
- Preferred name
- Prostaglandin K1
- IUPAC
- 7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-3,5-dioxocyclopentyl]heptanoic acid
- English name
- 9,11-Dioxo-15s-hydroxy-prost-13e-en-1-oic acid
- Molecular formula
- C20H32O5
- Molecular weight
- 352.47
Names & synonyms
Prostaglandin K19,11-Dioxo-15S-hydroxy-prost-13E-en-1-oic acidProst-13-en-1-oic acid, 15-hydroxy-9,11-dioxo-, (13E,15S)-RefChem:375652KJWZYMMLVHIVSU-IYCNHOCDSA-N69413-73-6PGK17-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-3,5-dioxocyclopentyl]heptanoic acid9,11-dioxo-15S-hydroxy-13E-prostenoic acidProstaglandin Korb2814601SCHEMBL13656264
Show more names
CHEBI:165340DTXSID401348011LMFA03010170MFCD00216081HY-127162G92536SR-01000946875T203123
Database identifiers
- CAS
69413-73-6- PubChem CID
- 16061102
- DTXSID
DTXSID401348011- ChEBI
CHEBI:165340
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Physicochemical properties
- Boiling point
- 551.8 · 551.8±50.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- 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-d12,
- pka
- 4.77 · 4.77±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319-H360-H336
- Precautionary statements
- 201 · P201-P202-P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P308+P313-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- Hazard statements
- H225-H319-H360-H336
- Precautionary statements
- P201-P202-P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P308+P313-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
DescriptionProstaglandin K1 (PGK1) is a 9,11-diketo analog of PGE1 or PGD1 . It is a PGE2 receptor subtype EP1 agonist that has 387-fold reduced potency compared to PGE2 .1
UsesProstaglandin K1 (compound 46) is a structurally modified analog of prostacyclin (prostanoid) with an EC50 of 2800 nM for EP1 and a Ki of 2800 nM[1].
Additional notes
DefinitionChEBI: PGK1 is a prostanoid.
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Compound notes
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