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VPC12249 , CAS No.403520-23-0, Antagonist of LPA 1 receptor;Antagonist of LPA 3 receptor;Agonist of S1P 3 receptor

COA

Grade & Purity:

Moligand™

Cas Number: 403520-23-0
PubChem CID: 10282223

In stock

Item Number

V614777

Grouped product items
SKU	Size	Availability	Price	Qty
V614777-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90
V614777-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$990.90

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Class A GPCR (4138) LPA1 receptor Antagonist (18) LPA3 receptor Antagonist (12) S1P3 receptor Agonist (14)

Basic Description

Synonyms	VPC 12249;VPC-12249
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST, ANTAGONIST
Mechanism of action	Antagonist of LPA 1 receptor;Antagonist of LPA 3 receptor;Agonist of S1P 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Amphetamines and derivatives
Alternative Parents	Phosphoethanolamines Phenoxy compounds Phenol ethers Monoalkyl phosphates Alkyl aryl ethers N-acyl amines Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Amphetamine or derivatives - Phenoxy compound - Phenol ether - Phosphoethanolamine - Alkyl aryl ether - Monoalkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors	Not available
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)

S1PR3 Tclin Sphingosine 1-phosphate receptor 3 (1 Activities)

Discover Target: S1PR3

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)

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

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)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(phenylmethoxy)phenyl]propyl] dihydrogen phosphate
INCHI	InChI=1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t32-/m1/s1
InChIKey	NJLPYJKKKSBCSK-MJPIYRIWSA-N
Smiles	CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)COP(=O)(O)O
PubChem CID	10282223

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