ABT-299 - Moligand™ , Antagonist of PAF receptor, CAS No.161395-35-3, Antagonist of PAF receptor

CAS: 161395-35-3 Cat. No.: A607337 PubChem CID: 9830503

GRADE & PURITY Moligand™

Synonyms

742QGP819Q | UNII-742QGP819Q | Q27074121 | AKOS040747742 | [3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate chloride | GTPL1849 | ABT 299 | Pyridinium, 1-((

Storage

Room temperature

Specifications

Sinónimos

742QGP819Q | UNII-742QGP819Q | Q27074121 | AKOS040747742 | [3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1, 3-dihydropyrrolo[1, 2-c][1, 3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate chloride | GTPL1849 | ABT 299 | Pyridinium, 1-((

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of PAF receptor

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-]
• IUPAC Name: [3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate chloride
• InChIKey: NKIONDJYXPXFFL-JSSVAETHSA-M
• INCHI: 1S/C32H28FN4O4S.ClH/c1-20(38)41-19-35-13-4-5-23(16-35)31-36-14-12-26(29(36)18-42-31)30(39)27-17-37(32(40)34(2)3)28-15-22(8-11-25(27)28)21-6-9-24(33)10-7-21;/h4-17,31H,18-19H2,1-3H3;1H/q+1;/p-1/t31-;/m1./s1
• Isómeros SMILES: CC(=O)OC[N+]1=CC=CC(=C1)[C@@H]2N3C=CC(=C3CS2)C(=O)C4=CN(C5=C4C=CC(=C5)C6=CC=C(C=C6)F)C(=O)N(C)C.[Cl-]
• PubChem CID: 9830503

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Indoles Aryl ketones Pyrrole carboxamides Fluorobenzenes Aryl fluorides Substituted pyrroles Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organofluorides Organic oxides Organic chloride salts Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Indole - Pyrrole-1-carboxamide - Pyrrole-1-carboxylic acid or derivatives - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Substituted pyrrole - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Urea - Ketone - Carbonic acid derivative - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic salt - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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

Objetivos asociados (humanos)

PTAFR Tchem Platelet-activating factor receptor (2 Activities)

Discover Target: PTAFR

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

PTAFR Tchem Platelet activating factor receptor (2575 Activities)

Discover Target: PTAFR

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

Homo sapiens (32628 Activities)

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Objetivos asociados (no humanos)

Cavia porcellus (23802 Activities)

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Mecanismos de acción