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

CAS: 944997-60-8 Cat. No.: C350715 Formula: C₂₇H₃₅N₃O₂ Peso molecolare: 433.59 Numero EC: 635-624-8

QUALITÀ & PUREZZA 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

Al riparo dalla luce, conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

L'agonista del recettore C3A è una proteina recettore accoppiata a proteine G coinvolta nel sistema del complemento. Quando un recettore C3A viene attivato, i neutrofili vengono immobilizzati, dimostrando il caso d'uso dell'agonista del recettore C3A.

Specifiche

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Al riparo dalla luce, conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Agonist of C3a receptor

Purezza

≥98%

Proprietà del prodotto

pKa

pKₐ: 5.37 (Predicted)

Nomi e identificatori

Pubchem Sid

528763659

Sorrisi canonici

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)

Isomeri SMILES

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

WGK Germania

3

CAS alternativo

944997-60-8

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (≥44 mg/ml). Insoluble in water.
• Sensibilità: Light sensitive
• Indice di rifrazione: n20D1.60 (Predicted)
• Punto di ebollizione (°C): ~686.20° C at 760 mmHg (Predicted)
• Peso molecolare: 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