RP-52770 - Moligand™ , Antagonist of PAF receptor, CAS No.93363-02-1, Antagonist of PAF receptor

CAS: 93363-02-1 Cat. No.: R613281 PubChem CID: 146417

GRADE & PURITY Moligand™

Synonyms

L001082 | N-(3-Chlorophenyl)-3-(3-pyridinyl)-1H,3H-pyrrolo(1,2-c)thiazole-7-carboxamide | 3-Pyridin-3-yl-1H-pyrrolo[1,2-c]thiazole-7-carboxylic acid (3-chloro-phenyl)-amide | N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbo

Storage

Room temperature

Specifications

Synonyms

L001082 | N-(3-Chlorophenyl)-3-(3-pyridinyl)-1H, 3H-pyrrolo(1, 2-c)thiazole-7-carboxamide | 3-Pyridin-3-yl-1H-pyrrolo[1, 2-c]thiazole-7-carboxylic acid (3-chloro-phenyl)-amide | N-(3-chlorophenyl)-3-pyridin-3-yl-1, 3-dihydropyrrolo[1, 2-c][1, 3]thiazole-7-carbo

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of PAF receptor

Names and Identifiers

• Canonical Smiles: Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1
• IUPAC Name: N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
• InChIKey: MJGVBIXLFIUPQU-UHFFFAOYSA-N
• INCHI: 1S/C18H14ClN3OS/c19-13-4-1-5-14(9-13)21-17(23)15-6-8-22-16(15)11-24-18(22)12-3-2-7-20-10-12/h1-10,18H,11H2,(H,21,23)
• Isomeric SMILES: C1C2=C(C=CN2C(S1)C3=CN=CC=C3)C(=O)NC4=CC(=CC=C4)Cl
• PubChem CID: 146417

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyrrole carboxamides Chlorobenzenes Aryl chlorides Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Associated Targets(Human)

PTAFR Tchem Platelet-activating factor receptor (1 Activities)

Discover Target: PTAFR

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 355.800 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 355.055 Da
• Monoisotopic Mass: 355.055 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 466.000
• 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