Bambuterol Hydrochloride - Moligand™, ≥98%(HPLC) , Inhibitor of butyrylcholinesterase, CAS No.81732-46-9, Inhibitor of butyrylcholinesterase

CAS: 81732-46-9 Cat. No.: B134443 Peso molecular: 403.9 Número EC: 643-060-9

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BAMBUTEROL HYDROCHLORIDE [EP MONOGRAPH] | D07489 | UNII-786Q84QZ3F | KWD-2183 hydrochloride | Bambec (TN) | BAMBUTEROL HYDROCHLORIDE [MART.] | BD164235 | HY-17501A | CAS-81732-46-9 | BAMBUTEROL HYDROCHLORIDE | Bambuterol-d9Hydrochloride | SMR001233167 | [

Storage

Room temperature

Shipped In

Normal

Descripción general

Bambuterol Hydrochloride acts as a bronchodilator. It inhibits plasma BChE (cholinesterase) during metabolism prolongs suxamethonium-induced neuromuscular blockade. Bambuterol Hydrochloride is an activator of β2-AR.
An inhibitor of plasma cholinesterase during metabolism.

Specifications

Sinónimos

BAMBUTEROL HYDROCHLORIDE [EP MONOGRAPH] | D07489 | UNII-786Q84QZ3F | KWD-2183 hydrochloride | Bambec (TN) | BAMBUTEROL HYDROCHLORIDE [MART.] | BD164235 | HY-17501A | CAS-81732-46-9 | BAMBUTEROL HYDROCHLORIDE | Bambuterol-d9Hydrochloride | SMR001233167 | [

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

β-adrenoceptor agonist; bronchodilator; anti-asthmatic; terbutaline prodrug

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of butyrylcholinesterase

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl
• IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate;hydrochloride
• InChIKey: LBARATORRVNNQM-UHFFFAOYSA-N
• INCHI: 1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
• Isómeros SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl
• WGK Alemania: 3
• Peso molecular: 403.9
• Reaxy-Rn: 9451479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9451479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Aralkylamines Carbamate esters Secondary alcohols Organic carbonic acids and derivatives 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Aralkylamine - Carbamic acid ester - 1,2-aminoalcohol - Carbonic acid derivative - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Aromatic alcohol - Organic oxide - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• External Descriptors: hydrochloride - carbamate ester - phenylethanolamines

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

Objetivos asociados (humanos)

BCHE Tclin Cholinesterase (1 Activities)

Discover Target: BCHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

Discover Target: RAPGEF4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (~33 mg/ml), DMSO, and methanol.
• Punto de fusión (°C): 225 °C
• Peso molecular: 403.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 403.187 Da
• Monoisotopic Mass: 403.187 Da
• Topological Polar Surface Area: 91.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 446.000
• 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: 2

XLogP3