vapiprost - Moligand™ , Antagonist of TP receptor, CAS No.85505-64-2, Antagonist of TP receptor

CAS: 85505-64-2 Cat. No.: V614711 PubChem CID: 6918030

GRADE & PURITY Moligand™

Synonyms

AKOS027378112 | GR32191 | GR-32191 | 4-HEPTENOIC ACID, 7-(5-((1,1'-BIPHENYL)-4-YLMETHOXY)-3-HYDROXY-2-(1-PIPERIDINYL)CYCLOPENTYL)-, (1R-(1.ALPHA.(Z),2.BETA.,3.BETA.,5.ALPHA.))- | GR 32191 | GTPL1976 | BRD-K02283807-003-01-4 | (Z)-7-[(1R,2R,3S,5S)-5-(Biphe

Storage

Room temperature

Specifications

Sinonimi

AKOS027378112 | GR32191 | GR-32191 | 4-HEPTENOIC ACID, 7-(5-((1,1'-BIPHENYL)-4-YLMETHOXY)-3-HYDROXY-2-(1-PIPERIDINYL)CYCLOPENTYL)-, (1R-(1.ALPHA.(Z),2.BETA.,3.BETA.,5.ALPHA.))- | GR 32191 | GTPL1976 | BRD-K02283807-003-01-4 | (Z)-7-[(1R,2R,3S,5S)-5-(Biphe

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of TP receptor

Nomi e identificatori

• Sorrisi canonici: C1CCN(CC1)C2C(CC(C2CCC=CCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O
• IUPAC Name: (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
• InChIKey: GQGRDYWMOPRROR-XUSMOFMBSA-N
• INCHI: 1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1
• Isomeri SMILES: C1CCN(CC1)[C@H]2[C@H](C[C@@H]([C@@H]2CC/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O
• CAS alternativo: 85505-64-2
• PubChem CID: 6918030
• Termini MeSH: 7-(5-(((1,1'-biphenyl)-4-yl)methoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl)-4-heptanoic acid;GR 32191;GR 32191B;GR-32191;GR-32191B;GR32191;vapiprost

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzylethers Medium-chain fatty acids Hydroxy fatty acids Amino fatty acids Heterocyclic fatty acids Unsaturated fatty acids Piperidines Cyclopentanols Trialkylamines 1,2-aminoalcohols Amino acids Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Benzylether - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Amino fatty acid - Piperidine - Fatty acyl - Fatty acid - Cyclopentanol - Unsaturated fatty acid - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

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

Obiettivi associati (umani)

TBXA2R Tclin Thromboxane A2 receptor (2 Activities)

Discover Target: TBXA2R

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

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

Discover Target: TBXA2R

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

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 477.600 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 477.288 Da
• Monoisotopic Mass: 477.288 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 647.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 85505-64-2. InChIKey GQGRDYWMOPRROR-XUSMOFMBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.