N-Vanillylnonanamide - ≥97% , CAS No.2444-46-4

CAS: 2444-46-4 Cat. No.: V107237 Fórmula: C₁₇H₂₇NO₃ Peso molecular: 293.4 Beilstein Registry Number: 2144300 Número CE: 219-484-1

GRADE & PURITY ≥97%

Synonyms

N-Nonylvanylamide | N-Pelargonic Acid Vanillylamide

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N-Nonylvanylamide | N-Pelargonic Acid Vanillylamide

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

TRPV1 agonist. Less potent Capsaicin analog. Induces Ca 2+ release from ER. Blood-brain barrier permeable. Active in vivo .

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

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

≥97%

Nomes e identificadores

Pubchem Sid

508816612

Sorrisos canónicos

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

IUPAC Name

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide

InChIKey

RGOVYLWUIBMPGK-UHFFFAOYSA-N

INCHI

1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

SMILES isoméricas

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

WGK Alemanha

2

Número UN

2811

Peso molecular

293.4

Beilstein

2144300

Reaxy-Rn

2144300

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2144300&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboximidic acid - Carboximidic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: an alkaloid

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

Alvos associados (humanos)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cavia porcellus (23802 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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FTL Ferritin light chain (43324 Activities)

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nfo Endonuclease 4 (425 Activities)

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Cell membrane (1233 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in chloroform
• Ponto de inflamação (°C): 190°C
• Ponto de fusão (°C): 58°C
• Peso molecular: 293.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 293.199 Da
• Monoisotopic Mass: 293.199 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 283.000
• 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: 1