L-888,291 - Moligand™ , Agonist of DP 1 receptor;Agonist of DP 2 receptor, CAS No.1030017-51-6, Agonist of DP 1 receptor;Agonist of DP 2 receptor

CAS: 1030017-51-6 Cat. No.: L611428 Formula: C₁₉H₁₅ClFNO₂S Peso molecolare: 375.85 PubChem CID: 44450494

GRADE & PURITY Moligand™

Synonyms

2-(9-((4-Chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid | HY-111271A | 2-(9-((4-Chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)aceticacid | AKOS016011403 | DTXSID50659163 | F82245 | 9-[(4-Chlorophenyl)

Storage

Room temperature

Specifications

Sinonimi

2-(9-((4-Chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid | HY-111271A | 2-(9-((4-Chlorophenyl)thio)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)aceticacid | AKOS016011403 | DTXSID50659163 | F82245 | 9-[(4-Chlorophenyl)

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Agonist of DP 1 receptor;Agonist of DP 2 receptor

Nomi e identificatori

Sorrisi canonici

C1CN2C3=C(C=CC(=C3)F)C(=C2C1CC(=O)O)SC4=CC=C(C=C4)Cl

IUPAC Name

2-[4-(4-chlorophenyl)sulfanyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

InChIKey

GSBAVONRPNJJOH-UHFFFAOYSA-N

INCHI

1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)

Isomeri SMILES

C1CN2C3=C(C=CC(=C3)F)C(=C2C1CC(=O)O)SC4=CC=C(C=C4)Cl

PubChem CID

44450494

Peso molecolare

375.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Indoles Thiophenol ethers Pyrrolizines Chlorobenzenes Aryl chlorides Substituted pyrroles Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Indole - Indole or derivatives - Pyrrolizine - Thiophenol ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Substituted pyrrole - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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)

PTGDR Tclin Prostaglandin D2 receptor (1 Activities)

Discover Target: PTGDR

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

PTGDR2 Tchem Prostaglandin D2 receptor 2 (1 Activities)

Discover Target: PTGDR2

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

TBXA2R Tclin Thromboxane A2 receptor (1 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 375.800 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 375.05 Da
• Monoisotopic Mass: 375.05 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 502.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 1030017-51-6, the molecular formula is C19H15ClFNO2S, and the molecular weight is 375.85 g/mol. InChIKey GSBAVONRPNJJOH-UHFFFAOYSA-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.