J 104129 fumarate - ≥99%(HPLC) , CAS No.257603-40-0

CAS: 257603-40-0 Cat. No.: J287828 Summenformel: C₂₄H₃₆N₂O₂•C₄H₄O₄ Molekulargewicht: 500.63 PubChem CID: 56972189

GRADE & PURITY ≥99%(HPLC)

Synonyms

(αR)-α-Cyclopentyl-α-hydroxy-N-[1-(4-methyl-3-pentenyl)-4-piperidinyl]benzeneacetamide fumarate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

(αR)-α-Cyclopentyl-α-hydroxy-N-[1-(4-methyl-3-pentenyl)-4-piperidinyl]benzeneacetamide fumarate

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Potent M3muscarinic receptor antagonist that displays ~ 120-fold selectivity over M2receptors (Kivalues are 4.2, 19 and 490 nM for human M3, M1and M2receptors respectively). Exhibits > 250-fold bronchial selectivity; inhibits ACh-induced bronchoconstricti

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥99%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

CC(=CCCN1CCC(CC1)NC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.C(=CC(=O)O)C(=O)O

IUPAC Name

(E)-but-2-enedioic acid;(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide

InChIKey

HUCQUCITPHOUAC-DSSYAJFBSA-N

INCHI

1S/C24H36N2O2.C4H4O4/c1-19(2)9-8-16-26-17-14-22(15-18-26)25-23(27)24(28,21-12-6-7-13-21)20-10-4-3-5-11-20;5-3(6)1-2-4(7)8/h3-5,9-11,21-22,28H,6-8,12-18H2,1-2H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-;/m0./s1

Isomere SMILES

CC(=CCCN1CCC(CC1)NC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.C(=C/C(=O)O)\C(=O)O

PubChem CID

56972189

Molekulargewicht

500.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Unsaturated fatty acids Piperidines Dicarboxylic acids and derivatives Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Not available
• Substituents: Phenylacetamide - Dicarboxylic acid or derivatives - Piperidine - Fatty acyl - Fatty acid - Unsaturated fatty acid - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 50.06, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 25.03, Max Conc. mM: 50
• Molekulargewicht: 500.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 500.289 Da
• Monoisotopic Mass: 500.289 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 642.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3