Mabuterol - Moligand™,≥98% , CAS No.56341-08-3

CAS: 56341-08-3 Cat. No.: M344898 Formule: C₁₃H₁₈ClF₃N₂O Poids moléculaire: 310.74

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL82440 | L013373 | A831005 | AMBUTEROL | CHEBI:135325 | Mabuterol free base | UNII-R4K19W6S7Q | 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;Mabuterol | 1ST1321 | FT-0630690 | NCGC00181010-01 | AKOS016010365 | MABUTEROL

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Mabuterol is a long acting β2-adrenergic agonist which stimulates adenylyl cyclase activity and the closing of calcium channels. Studies indicate that the R enantiomer of Mabuterol is more potent than the S enantiomer. In addition, the half-life is longer in the R enantiomer than the S. Studies conducted on rats and dogs show that Mabuterol acts as a bronchodilator. These studies demonstrated that at high concentrations Mabuterol can also antagonize &beta|1|adrenoceptors in guinea pigs.

Specifications

Synonymes

SCHEMBL82440 | L013373 | A831005 | AMBUTEROL | CHEBI:135325 | Mabuterol free base | UNII-R4K19W6S7Q | 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;Mabuterol | 1ST1321 | FT-0630690 | NCGC00181010-01 | AKOS016010365 | MABUTEROL

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Pureté

≥98%

Propriétés du produit

• pKa: pKₐ: 13.37, pKₐ: 9.53

Noms et identifiants

• Sourires canoniques: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O
• IUPAC Name: 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
• InChIKey: JSJCTEKTBOKRST-UHFFFAOYSA-N
• INCHI: 1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3
• Isomères SMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O
• Poids moléculaire: 310.74
• Reaxy-Rn: 1133578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1133578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary amine - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Cibles associées (non humaines)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in chloroform, methanol, and Partly Miscible in water.
• Sensibilité: Moisture and light sensitive
• Indice de réfraction: n20D1.52 (Predicted)
• Point d'ébullition (°C): ~375.9° C at 760 mmHg (Predicted)
• Point de fusion (°C): 85-87° C
• Poids moléculaire: 310.740 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 310.106 Da
• Monoisotopic Mass: 310.106 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 320.000
• 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

Références

1. Shaopeng Qi, Bo Zhao, Bo Zhou, Xiaoqing Jiang.  (2017)  An electrochemical immunosensor based on pristine graphene for rapid determination of ractopamine.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2017.07.055]