Isoetharine - Moligand™, ≥95% , CAS No.530-08-5

CAS: 530-08-5 Cat. No.: I611181 Formula: C₁₃H₂₁NO₃ Peso molecolare: 239.31 Numero EC: 208-472-1

GRADE & PURITY Moligand™, ≥95%

Synonyms

BPBio1_000812 | Isoetarinum [INN-Latin] | SBI-0050650.P002 | SPBio_002677 | C07053 | DB00221 | NCGC00018239-02 | AKOS040758641 | SDCCGSBI-0050650.P003 | 4-[1-hydroxy-2-(isopropylamino)butyl]pyrocatechol;mesylic acid | cid_23702 | NCGC00018239-03 | NCGC000

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Isoetharine (Isoetarine) is a selective agonist of β-adrenergic receptors. Isoetharine is a catechol-like agent and catechol O-methyltransferase (COMT) mediates its methylation. Isoetharine can promote the production of cAMP which stimulates the relaxation of smooth muscle cells and can be used as an emphysema, bronchitis and bronchodilator

Specifications

Sinonimi

BPBio1_000812 | Isoetarinum [INN-Latin] | SBI-0050650.P002 | SPBio_002677 | C07053 | DB00221 | NCGC00018239-02 | AKOS040758641 | SDCCGSBI-0050650.P003 | 4-[1-hydroxy-2-(isopropylamino)butyl]pyrocatechol;mesylic acid | cid_23702 | NCGC00018239-03 | NCGC000

Specifiche e purezza

Moligand™, ≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

AGONIST

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C
• IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
• InChIKey: HUYWAWARQUIQLE-UHFFFAOYSA-N
• INCHI: 1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
• Isomeri SMILES: CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C
• CAS alternativo: 530-08-5,79490-84-9,7279-75-6
• Termini MeSH: Bronkometer;Etyprenalinum;Isoetarin;Isoetharine;Isoetharine Mesylate;Mesylate, Isoetharine
• Peso molecolare: 239.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Aromatic alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: catecholamine

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 239.310 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 239.152 Da
• Monoisotopic Mass: 239.152 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1