L902688 - Moligand™ , Agonist of EP 4 receptor, CAS No.634193-54-7, Agonist of EP 4 receptor

CAS: 634193-54-7 Cat. No.: L611430

GRADE & PURITY Moligand™

Synonyms

BCP23988 | GTPL3357 | 2-Pyrrolidinone, 5-((1E,3R)-4,4-difluoro-3-hydroxy-4-phenyl-1-butenyl)-1-(6-(1H-tetrazol-5-yl)hexyl)-, (5R)- | (5R)-5-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one | AKOS

Storage

Room temperature

Specifications

Synonymes

BCP23988 | GTPL3357 | 2-Pyrrolidinone, 5-((1E,3R)-4,4-difluoro-3-hydroxy-4-phenyl-1-butenyl)-1-(6-(1H-tetrazol-5-yl)hexyl)-, (5R)- | (5R)-5-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one | AKOS

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of EP 4 receptor

Noms et identifiants

Sourires canoniques

C1CC(=O)N(C1C=CC(C(C2=CC=CC=C2)(F)F)O)CCCCCCC3=NNN=N3

IUPAC Name

(5R)-5-[(E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one

InChIKey

WPTLQOYLIXWRNN-SLKVGHROSA-N

INCHI

1S/C21H27F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,29H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18+/m0/s1

Isomères SMILES

C1CC(=O)N([C@H]1/C=C/[C@H](C(C2=CC=CC=C2)(F)F)O)CCCCCCC3=NNN=N3

CAS alternatif

634193-54-7

Termes d'entrée MeSH

(5R)-5-((1E,3R)-4,4-difluoro-3-hydroxy-4-phenyl-1-buten-1-yl)-1-(6-(2H-tetrazol-5-yl)hexyl)-2-pyrrolidinone;L-902,688;L-902688

Reaxy-Rn

22432733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22432733&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Pyrrolidine-2-ones N-alkylpyrrolidines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Lactams Fluorohydrins Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Azole - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Carboxamide group - Fluorohydrin - Halohydrin - Lactam - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Cibles associées (humaines)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (1 Activities)

Discover Target: PTGER4

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 419.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 419.213 Da
• Monoisotopic Mass: 419.213 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 572.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Foire aux questions

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 634193-54-7. InChIKey WPTLQOYLIXWRNN-SLKVGHROSA-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.