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15-deoxy-δ12,14-Prostaglandin D2 - A solution in methyl acetate, high purity , CAS No.85235-11-6, Agonist of DP 2 receptor

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15-deoxy-δ12,14-Prostaglandin D2 - A solution in methyl acetate, high purity , CAS No.85235-11-6, Agonist of DP 2 receptor

COA

Grade & Purity:

Moligand™

A solution in methyl acetate

Cas Number: 85235-11-6
Molecular Weight: 334.45
PubChem CID: 5283052

In stock

Item Number

D355691

Grouped product items
SKU	Size	Availability	Price	Qty
D355691-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$578.90
D355691-500μg	500μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$173.90

a synthetic analog of PGD2

View related series

Cell Cycle (2830) Class A GPCR (4138) DP2 receptor Agonist (12) Lipid metabolism (1912) Metabolite (5307) Non-receptor Tyrosine Kinase (643)

Basic Description

Specifications & Purity	Moligand™, A solution in methyl acetate
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of DP 2 receptor
Product Description	A synthetic analog of PGD\|2\|and a potential precursor to the PPARγ ligand 15-deoxy-Δ12,14-PGJ2.1 Exhibits cytotoxic effects on L1210 murine leukemia cells in vitro. 15-deoxy-Δ12,14-PGD\|2\|is 10-fold more potent than PGD\|2\|in this activity.2 However, it is a l

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Eicosanoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Eicosanoids
Intermediate Tree Nodes	Not available
Direct Parent	Prostaglandins and related compounds
Alternative Parents	Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Cyclopentanols Cyclic ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Prostaglandin skeleton - Long-chain fatty acid - Hydroxy fatty acid - Cyclopentanol - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Ketone - Cyclic ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
External Descriptors	Prostaglandins
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTGDR2 Tchem Prostaglandin D2 receptor 2 (1 Activities)

Discover Target: PTGDR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
INCHI	InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
InChIKey	QUGBPWLPAUHDTI-PLGLXCLHSA-N
Smiles	CCCCCC=CC=C1C(C(CC1=O)O)CC=CCCCC(=O)O
Isomeric SMILES	CCCCC/C=C/C=C/1\[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O
PubChem CID	5283052
Molecular Weight	334.45

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	57° C (Predicted)
Molecular Weight	334.400 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	334.214 Da
Monoisotopic Mass	334.214 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	488.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	3
Covalently-Bonded Unit Count	1

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