TC-FPR 43 - Moligand™, ≥98%(HPLC) , Agonist of FPR1;Agonist of FPR2/ALX, CAS No.903895-98-7, Agonist of FPR1;Agonist of FPR2/ALX

CAS: 903895-98-7 Cat. No.: T287729 Molecular Weight: 384.86 PubChem CID: 24776341

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BDBM59086 | 1-(4-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea | ()-Alminoprofen;EB 382; Minalfene | HY-19574 | MFCD30182236 | N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea | 1-(4

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Product description

FPR Agonist 43 (compound 43) is a dual formyl peptide receptor 1 (FPR1) and formyl peptide receptor 2 (FPR2)/ALX agonist.

Specifications

Synonyms

BDBM59086 | 1-(4-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea | ()-Alminoprofen;EB 382; Minalfene | HY-19574 | MFCD30182236 | N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2, 3-dihydro-1H-pyrazol-4-yl]urea | 1-(4

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent formyl peptide receptor 2 (FPR2) agonist (EC50= 44 nM). Inhibits fMLP- and IL-8-induced neutrophil migration. Suppresses inflammation in a mouse model of acute inflammation. Orally bioavailable.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of FPR1;Agonist of FPR2/ALX

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200685
• Canonical Smiles: CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl
• IUPAC Name: 1-(4-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
• InChIKey: PAEBEUZTAPIOIO-UHFFFAOYSA-N
• INCHI: 1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
• Isomeric SMILES: CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl
• Alternate CAS: 903895-98-7
• PubChem CID: 24776341
• Molecular Weight: 384.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: N-phenylureas Chlorobenzenes Pyrazolones Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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)

FPR1 Tchem fMet-Leu-Phe receptor (1 Activities)

Discover Target: FPR1

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

FPR2 Tchem N-formyl peptide receptor 2 (2 Activities)

Discover Target: FPR2

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 38.49, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 384.900 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 384.135 Da
• Monoisotopic Mass: 384.135 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 593.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1