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Prostaglandin D1

CAT: 0804-HY-113096-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113096-01Size:1 mg
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Description
Prostaglandin D1 is a prostanoid which causes contractile and relaxant on isolated human pial arteries, it is also an inhibitor of ADP-induced platelet aggregation with an IC50 value of 320 ng/ml. Prostaglandin D1 can be used for metabolic research[1][2].
CAS Number
17968-82-0
Product Name Alternative
PGD1
UNSPSC
12352211
Hazard Statement
H225-H319-H360
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/prostaglandin-d1.html
Solubility
10 mM in DMSO
Smiles
OC(CCCCCC[C@@H]1[C@H](C(C[C@@H]1O)=O)/C=C/[C@@H](O)CCCCC)=O
Molecular Formula
C20H34O5
Molecular Weight
354.48
Precautions
P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P405-P501
References & Citations
[1]Bundy GL, et al. Synthesis and platelet aggregation inhibiting activity of prostaglandin D analogues. J Med Chem. 1983 Jun;26 (6) :790-9.|[2]Uski TK, et al. Characterization of the prostanoid receptors and of the contractile effects of prostaglandin F2 alpha in human pial arteries. Acta Physiol Scand. 1984 Aug;121 (4) :369-78.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pgd1

Prostaglandin D1 is a prostaglandins D. It has a role as a human metabolite. It is a conjugate acid of a prostaglandin D1(1-).

CAS Number17968-82-0
PubChem CID5280936
IUPAC Name7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic acid
Molecular FormulaC20H34O5
Molecular Weight354.5
XLogP3.4
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity432
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)CCCCCCC(=O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
InChIKey
CIMMACURCPXICP-PNQRDDRVSA-N
Chemical Structure
2D Structure
2D structure of Pgd1
CAS: 17968-82-0
CID: 5280936
Formula: C20H34O5
MW: 354.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass354.24062418
Monoisotopic Mass354.24062418
Topological Polar Surface Area94.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity432
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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