esuberaprost - Moligand™ , Prostanoid IP receptor agonist, CAS No.94132-88-4, Prostanoid IP receptor agonist

CAS: 94132-88-4 Cat. No.: E610194 Formula: C₂₄H₃₀O₅ Peso molecolare: 398.5 PubChem CID: 10501053

GRADE & PURITY Moligand™

Synonyms

ESUBERAPROST [INN] | D10628 | Esuberaprost | GTPL8314 | Esuberaprost (USAN/INN) | 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-((1E,3S,4S)-3-hydroxy-4-methyl-1-octen-6-ynyl)-, (1R,2R,3aS,8bS)- | SCHEMBL13174399 | UNII-1JSN1

Storage

Room temperature

Specifications

Sinonimi

ESUBERAPROST [INN] | D10628 | Esuberaprost | GTPL8314 | Esuberaprost (USAN/INN) | 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-((1E,3S,4S)-3-hydroxy-4-methyl-1-octen-6-ynyl)-, (1R,2R,3aS,8bS)- | SCHEMBL13174399 | UNII-1JSN1

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Prostanoid IP receptor agonist

Proprietà del prodotto

• ALogP: 3.2

Nomi e identificatori

• Sorrisi canonici: CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C
• IUPAC Name: 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
• InChIKey: CTPOHARTNNSRSR-NOQAJONNSA-N
• INCHI: 1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1
• Isomeri SMILES: CC#CC[C@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)O)O)O
• PubChem CID: 10501053
• Peso molecolare: 398.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Coumarans Alkyl aryl ethers Benzenoids Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Fatty alcohol - Alkyl aryl ether - Benzenoid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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)

PTGIR Tclin Prostacyclin receptor (1 Activities)

Discover Target: PTGIR

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

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 94132-88-4, the molecular formula is C24H30O5, and the molecular weight is 398.5 g/mol. InChIKey CTPOHARTNNSRSR-NOQAJONNSA-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.