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Prostaglandin E1 alcohol

CAT: 0804-HY-137133-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-137133-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Prostaglandin E1 alcohol (compound 89) is a prostaglandin analog[1].
CAS Number
21562-57-2
UNSPSC
12352211
Hazard Statement
H300+H310+H330-H315-H319-H335
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/prostaglandin-e1-alcohol.html
Solubility
10 mM in DMSO
Smiles
OCCCCCCC[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@@H](O)CCCCC
Molecular Formula
C20H36O4
Molecular Weight
340.50
Precautions
P260-P261-P262-P264-P270-P271-P280-P284-P302+P352-P304+P340-P305+P351+P338-P330-P361+P364-P362+P364-P403+P233-P405-P501
References & Citations
[1]Cheolhwan Yoon, et al. Prostaglandin analogs and uses thereof. US20210139435A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(11alpha,13E,15S)-1,11,15-Trihydroxyprost-13-en-9-one

PGE1 alcohol is an aliphatic alcohol.

CAS Number21562-57-2
PubChem CID5283054
IUPAC Name(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
Molecular FormulaC20H36O4
Molecular Weight340.5
XLogP3.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity367
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCCO)O)O
InChI
InChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-18,20-22,24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,20+/m0/s1
InChIKey
CMHCOGHTKXUQKW-KOAZGICHSA-N
Chemical Structure
2D Structure
2D structure of (11alpha,13E,15S)-1,11,15-Trihydroxyprost-13-en-9-one
CAS: 21562-57-2
CID: 5283054
Formula: C20H36O4
MW: 340.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass340.26135963
Monoisotopic Mass340.26135963
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-P151401-01Prostaglandin E1 Alcohol
MBS5798917Prostaglandin F2alpha Alcohol
sc-205455Prostaglandin F1α Alcohol
sc-224215Prostaglandin D1 Alcohol
sc-205456Prostaglandin F2α Alcohol
sc-205457AProstaglandin F2α Alcohol methyl ether
MBS6013091-01PTGR2, NT (PTGR2, ZADH1, Prostaglandin reductase 2, 15-oxoprostaglandin 13-reductase, Zinc-binding alcohol dehydrogenase domain-containing protein 1)
MBS6338754-01PTGR2, NT (PTGR2, ZADH1, Prostaglandin reductase 2, 15-oxoprostaglandin 13-reductase, Zinc-binding alcohol dehydrogenase domain-containing protein 1) (PE)
MBS6338744-01PTGR2, NT (PTGR2, ZADH1, Prostaglandin reductase 2, 15-oxoprostaglandin 13-reductase, Zinc-binding alcohol dehydrogenase domain-containing protein 1) (AP)
135496ZADH1 (PTGR2, Prostaglandin Reductase 2, PRG-2, 15-oxoprostaglandin 13-reductase, Zinc-binding Alcohol Dehydrogenase Domain-containing Protein 1, FLJ39091)

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