Dyclonine hydrochloride - ≥99% , Sodium channel alpha subunit blocker, CAS No.536-43-6, Sodium channel alpha subunit blocker

CAS: 536-43-6 Cat. No.: D129353 Peso molecular: 325.87 Número EC: 208-633-6

GRADE & PURITY ≥99%

Synonyms

SW196829-3 | Dyclone (TN) | 1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride | 4-N-BUTOXY-beta-PIPERIDONOPROPIOPHENONE HYDROCHLORIDE | Dyclonine, Hydrochloride | Dyclone | Dyclonine HCL;Dyclone;Dyclocaine hydrochloride | NCGC00094662-03 | NS

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Dyclonine HCl is a hydrochloride salt form of dyclonine which is an oral anaesthetic

Specifications

Sinónimos

SW196829-3 | Dyclone (TN) | 1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride | 4-N-BUTOXY-beta-PIPERIDONOPROPIOPHENONE HYDROCHLORIDE | Dyclonine, Hydrochloride | Dyclone | Dyclonine HCL;Dyclone;Dyclocaine hydrochloride | NCGC00094662-03 | NS

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Used as a local anesthetic.Sodium channel blocker. HSP90 chaperone protein inhibitor. Shows local anesthetic effects in vivo. Orally active.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Tipo de acción

BLOCKER

Mecanismo de acción

Sodium channel alpha subunit blocker

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504754276
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754276
• Sonrisas canónicas: CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl
• IUPAC Name: 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
• InChIKey: KNZADIMHVBBPOA-UHFFFAOYSA-N
• INCHI: 1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H
• Isómeros SMILES: CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl
• WGK Alemania: 3
• RTECS: UG8750000
• Peso molecular: 325.87
• Reaxy-Rn: 3744808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3744808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Piperidines Beta-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: hydrochloride

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)

ACHE Tclin Acetylcholinesterase (0 Activities)

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

VDR Tclin Vitamin D receptor (26531 Activities)

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HepG2 (196354 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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

Objetivos asociados (no humanos)

Trypanosoma cruzi (99888 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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FTL Ferritin light chain (43324 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water, chloroform, ethanol, acetone, and methanol.
• Sensibilidad: Heat Sensitive
• Punto de fusión (°C): 175-176°C
• Peso molecular: 325.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 325.181 Da
• Monoisotopic Mass: 325.181 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3

Referencias

1. Xiaokang Guan, Qiao Lu, Xiangxu Zhao, Xiaowen Yan, Renato Zenobi.  (2023)  Spatio-Temporal Analysis of Anesthetics in Mice by Solid-Phase Microextraction: Dielectric Barrier Discharge Ionization Mass Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:37560898] [10.1021/acs.analchem.3c02123]

2. Wen-Jing Li, Li-Ying Wen, Yu-Sang Li, He-Bin Tang.  (2026)  Topical Application of Frankincense Oil Extract Potently Ameliorates Psoriasis-like Dermatitis in Mice via Anti-Inflammatory and Skin Barrier-Protective Effects.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  27  (6):   [PMID:] [10.3390/ijms27062629]