C3A Receptor Agonist - Moligand™, ≥98% , Agonist of C3a receptor, CAS No.944997-60-8, Agonist of C3a receptor

CAS: 944997-60-8 Cat. No.: C350715 Molecular Weight: 433.59 EC Number: 635-624-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL14335900 | HY-128132 | 2-cyclohexyl-2-phenyl-N-(1-(3-(pyridin-3-yl)propanoyl)piperidin-4-yl)acetamide | 2-Cyclohexyl-2-phenyl-N-{1-[3-(pyridin-3-yl)propanoyl]piperidin-4-yl}acetamide | BDBM50423085 | compound 7 [PMID: 17459702] | C3A Receptor Agoni

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

C3A Receptor Agonist is a G protein-coupled receptor protein involved in the complement system. When a C3A Receptor is activated, neutrophils are immobilized, demonstrating the use case for C3A Receptor Agonist.

Specifications

Synonyms

SCHEMBL14335900 | HY-128132 | 2-cyclohexyl-2-phenyl-N-(1-(3-(pyridin-3-yl)propanoyl)piperidin-4-yl)acetamide | 2-Cyclohexyl-2-phenyl-N-{1-[3-(pyridin-3-yl)propanoyl]piperidin-4-yl}acetamide | BDBM50423085 | compound 7 [PMID: 17459702] | C3A Receptor Agoni

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of C3a receptor

Purity

≥98%

Product Properties

• pKa: pKₐ: 5.37 (Predicted)

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4
• IUPAC Name: 2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
• InChIKey: RMFOYNMWESQGBZ-UHFFFAOYSA-N
• INCHI: 1S/C27H35N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32)
• Isomeric SMILES: C1CCC(CC1)C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4
• WGK Germany: 3
• Alternate CAS: 944997-60-8
• Molecular Weight: 433.59
• Reaxy-Rn: 11102927
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11102927&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: N-acylpiperidines Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - N-acyl-piperidine - Piperidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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)

C3AR1 Tchem C3a anaphylatoxin chemotactic receptor (0 Activities)

Discover Target: C3AR1

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

Chemical and Physical Properties

• Solubility: Soluble in DMSO (≥44 mg/ml). Insoluble in water.
• Sensitivity: Light sensitive
• Refractive Index: n20D1.60 (Predicted)
• Boil Point(°C): ~686.20° C at 760 mmHg (Predicted)
• Molecular Weight: 433.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 433.273 Da
• Monoisotopic Mass: 433.273 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 590.000
• 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