Nylidrin Hydrochloride - ≥99% , CAS No.849-55-8

CAS: 849-55-8 Cat. No.: N413257 Peso molecular: 335.87 Número EC: 212-701-0

GRADE & PURITY ≥99%

Synonyms

12R07I1K8C | 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol hydrochloride | AMY23363 | Buphenine HCl | EC69E3PW7E | AS-19644 | s5267 | DTXSID4039233 | NCGC00094222-04 | HY-B1404 | Pharmakon1600-01500445 | P-HYDROXY-.ALPHA.-(1-((1-METHYL-3-PHENYLPRO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Nylidrin Hydrochloride (Buphenine), aβ-adrenergicagonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.

Targets

β-adrenergic receptor

Specifications

Sinónimos

12R07I1K8C | 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol hydrochloride | AMY23363 | Buphenine HCl | EC69E3PW7E | AS-19644 | s5267 | DTXSID4039233 | NCGC00094222-04 | HY-B1404 | Pharmakon1600-01500445 | P-HYDROXY-.ALPHA.-(1-((1-METHYL-3-PHENYLPRO

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Nylidrin Hydrochloride (Buphenine), a β-adrenergic agonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Propiedades del producto

• ALogP: 4.112
• Recuento HBD: 3
• Enlace rotable: 7

Nombres e identificadores

• Pubchem Sid: 504763907
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763907
• Sonrisas canónicas: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• IUPAC Name: 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride
• InChIKey: CLJHABUMMDMAFA-UHFFFAOYSA-N
• INCHI: 1S/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H
• Isómeros SMILES: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• Peso molecular: 335.87
• Reaxy-Rn: 4166703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166703&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Cavia porcellus (23802 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 67 mg/mL (199.48 mM); Ethanol: 10 mg/mL (29.77 mM); Water: 2 mg/mL (5.95 mM)
• Sensibilidad: Moisture sensitive
• Agua (mg/ml) Solubilidad máxima: 67
• Agua (mM) Solubilidad máxima: 199.481942418198
• Peso molecular: 335.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 335.165 Da
• Monoisotopic Mass: 335.165 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3