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Orphan and other 7TM receptors
G protein-coupled receptors (GPCRs)
dioctanoylglycerol pyrophosphate , CAS No.D609904, Antagonist of GPR87;Antagonist of P2RY10;Antagonist of LPA 1 receptor;Agonist of LPA 3 receptor;Antagonist of LPA 3 receptor

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dioctanoylglycerol pyrophosphate , CAS No.D609904, Antagonist of GPR87;Antagonist of P2RY10;Antagonist of LPA 1 receptor;Agonist of LPA 3 receptor;Antagonist of LPA 3 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 10051843

In stock

Item Number

D609904

Grouped product items
SKU	Size	Availability	Price	Qty
D609904-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90
D609904-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

GPR87 Antagonist (2) LPA1 receptor Antagonist (18) LPA3 receptor Agonist (10) LPA3 receptor Antagonist (12) P2RY10 Antagonist (2)

Basic Description

Synonyms	DGPP \| DGPP 8:0
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST, ANTAGONIST
Mechanism of action	Antagonist of GPR87;Antagonist of P2RY10;Antagonist of LPA 1 receptor;Agonist of LPA 3 receptor;Antagonist of LPA 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Glycerophospholipids
    - Subclass Glycero-3-pyrophosphates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerophospholipids
Subclass	Glycero-3-pyrophosphates
Intermediate Tree Nodes	Not available
Direct Parent	Pyrophosphatidic acids
Alternative Parents	Organic pyrophosphates Monoalkyl phosphates Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Diacyl-glycerol-3-pyrophosphate - Organic pyrophosphate - Fatty acid ester - Monoalkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as pyrophosphatidic acids. These are lipids structurally characterized by the presence of a glycerol moiety bonded to two aliphatic chains through ester linkages, and to a pyrophosphate group.
External Descriptors	octanoate ester - 1,2-diacyl-sn-glycerol 3-diphosphate
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)

GPR87 Tchem G-protein coupled receptor 87 (0 Activities)

Discover Target: GPR87

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

LPAR3 Tchem Lysophosphatidic acid receptor 3 (1 Activities)

Discover Target: LPAR3

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

LPAR1 Tchem Lysophosphatidic acid receptor 1 (0 Activities)

Discover Target: LPAR1

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

P2RY10 Tchem Putative P2Y purinoceptor 10 (0 Activities)

Discover Target: P2RY10

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

LPAR1 Tchem Lysophosphatidic acid receptor Edg-2 (779 Activities)

Discover Target: LPAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)

Discover Target: LPAR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPAR3 Tchem Lysophosphatidic acid receptor Edg-7 (471 Activities)

Discover Target: LPAR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	[(2R)-3-(hydroxy-phosphonooxyphosphoryl)oxy-2-octanoyloxypropyl] octanoate
INCHI	InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
InChIKey	MBDSUZSCJLRKPC-QGZVFWFLSA-N
Smiles	CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)COP(=O)(OP(=O)(O)O)O
Isomeric SMILES	CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
PubChem CID	10051843

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	504.400 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	22
Exact Mass	504.189 Da
Monoisotopic Mass	504.189 Da
Topological Polar Surface Area	166.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	620.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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