CAS 13345-51-2 Pgb1 (HCID 5280388)

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Basic information

CAS: 13345-51-2
Standard SMILES: CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1
InChIKey: YBHMPNRDOVPQIN-VSOYFRJCSA-N
Molecular formula: C20H32O4
Average molar mass: 336.5 g/mol
Monoisotopic mass: 336.2300595

Names & identifiers

Preferred name: Pgb1
IUPAC: 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid
English name: PROSTAGLANDIN B1
Molecular formula: C20H32O4
Molecular weight: 336.47

Names & synonyms

prostaglandin B113345-51-2PGB11TYI1PJ64TDTXSID0013476099-oxo-15S-hydroxy-8(12),13E-prostadienoic acidProsta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acidCHEBI:276247-(2-((E,3S)-3-hydroxyoct-1-enyl)-5-oxocyclopenten-1-yl)heptanoic acidRefChem:176604DTXCID10115038

Show more names

Alprostadil (Prostaglandin E1) EP Impurity BPGE1-27815-epi-PGB1Postaglandin B1PROSTAGLANDINS B1Prostaglandin Impurity B

(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acidPROSTAGLANDINB1PGB1 (Prostaglandin B1)Prosta-8(12),13-dien-1-oicacid, 15-hydroxy-9-oxo-, (13E,15S)-MLS000069509CHEMBL1561148SMR000058636Prostaglandin E1-278

Database identifiers

CAS: 13345-51-2
PubChem CID: 5280388
DTXSID: DTXSID001347609
ChEMBL: CHEMBL1561148
ChEBI: CHEBI:27624
UNII: 1TYI1PJ64T
Nikkaji: J16.061J

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 24
Formal charge: 0
Complexity: 462

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point: 69 · 69-71°C
Boiling point: 531.4 · 531.4±43.0 °C(Predicted)
Density: 1.101 · 1.101±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
solubility: 20 mg/mL, · acetone: 20 mg/mL, clear, colorless to very faintly yellow
form: powder
pka: 4.77 · 4.77±0.10(Predicted)
color: white to light yellow
biological source: synthetic
BRN: 2004447 · 2004447
Stability: Light Sensitive
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/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1

Safety & regulation

Safety data

F: 8-10
wgk: 3
hs_code: 2937500000
safety_code: 22-24/25
Storage Class: 10 - Combustible liquids

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular；Membrane

Applications

UsesProstaglandin B1 is a novel microbial biopolymer which has been shown to improve the longevity of type 2 diabetic rodents. Oligomers of prostaglandin B1 inhibit arachidonic acid mobilization in human neutrophils and endothelial cells.