Procaterol hydrochloride - 10mM in DMSO , CAS No.62929-91-3

CAS: 62929-91-3 Cat. No.: P425191 Summenformel: C₁₆H₂₂N₂O₃·HCl Molekulargewicht: 326.82 EG-Nummer: 263-763-0 PubChem CID: 43091

GRADE & PURITY 10mM in DMSO

Synonyms

procaterol hydrochloride|Lontermin|62929-91-3|Meptin|8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride|Masacin|Onsukil|Procadil|Promaxol|Propulum|Hydron;8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Procaterol hydrochloride is a selective intermediate-acting β2 adrenoreceptor agonist with an EC50 of 12.9 µM[1]. Procaterol hydrochloride can inhibit inflammation both in vivo and in vitro.

Specifications

Synonyme

procaterol hydrochloride | Lontermin | 62929-91-3 | Meptin | 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride | Masacin | Onsukil | Procadil | Promaxol | Propulum | Hydron;8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Potent and selective β 2 adrenoceptor agonist (K P values are 4.3 μM and 8 nM for β 1 and β 2 respectively). Shows antioxidant effects. Shows vasodilatory and bronchodilatory effects in vivo. Orally active.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

• Pubchem Sid: 528773738
• Kanonisches Lächeln: CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl
• IUPAC Name: 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride
• InChIKey: AEQDBKHAAWUCMT-CVHDTDHSSA-N
• INCHI: 1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H/t12-,16+;/m0./s1
• Isomere SMILES: CC[C@@H]([C@@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl
• PubChem CID: 43091
• Molekulargewicht: 326.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: 8-hydroxyquinolines Hydroquinolines Pyridinones 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Lactams Dialkylamines Azacyclic compounds Aromatic alcohols Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - 8-hydroxyquinoline - Dihydroquinoline - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Lactam - Secondary alcohol - Secondary aliphatic amine - Azacycle - Secondary amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Aromatic alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 326.820 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 326.14 Da
• Monoisotopic Mass: 326.14 Da
• Topological Polar Surface Area: 81.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 397.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

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