PF 04885614 - Moligand™, ≥98%(HPLC) , Inhibitor of K v11.1;Inhibitor of Na v1.6;Inhibitor of Na v1.8, CAS No.1480833-70-2, Inhibitor of K v11.1;Inhibitor of Na v1.6;Inhibitor of Na v1.8

CAS: 1480833-70-2 Cat. No.: P288823 Summenformel: C₁₃H₁₄F₃N₃O Molekulargewicht: 285.26 PubChem CID: 65459349

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

1-Methyl-[1-[4-(4-trifluoromethoxy)phenyl]-imidazol-2-yl]-ethanamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

1-Methyl-[1-[4-(4-trifluoromethoxy)phenyl]-imidazol-2-yl]-ethanamine

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potent NaV1.8 inhibitor (IC50= 53 nM for human NaV1.8 channel). Exhibits selectivity for hNaV1.8 over hNaV1.6, hNaV1.7, hNaV1.1, hNaV1.2 and hNaV1.5 (IC50values are 4.2, 7.0, 11, 16 and 27μM respectively). PF-04885614 is an effective NaV1.8 inhibitor, ple

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of K v11.1;Inhibitor of Na v1.6;Inhibitor of Na v1.8

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504771818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771818
• Kanonisches Lächeln: CC(C)(C1=NC=C(N1)C2=CC=C(C=C2)OC(F)(F)F)N
• IUPAC Name: 2-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]propan-2-amine
• InChIKey: AGORGFNWYAUYSU-UHFFFAOYSA-N
• INCHI: 1S/C13H14F3N3O/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)20-13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)
• Isomere SMILES: CC(C)(C1=NC=C(N1)C2=CC=C(C=C2)OC(F)(F)F)N
• PubChem CID: 65459349
• Molekulargewicht: 285.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Phenoxy compound - Phenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Primary amine - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

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SCN10A Tclin Sodium channel protein type 10 subunit alpha (1 Activities)

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SCN9A Tclin Sodium channel protein type 9 subunit alpha (1 Activities)

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SCN8A Tclin Sodium channel protein type 8 subunit alpha (1 Activities)

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KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (2 Activities)

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SCN1A Tclin Sodium channel protein type I alpha subunit (483 Activities)

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

KCNH2 Tclin HERG (29587 Activities)

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SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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Liver (3974 Activities)

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Scn2a Sodium channel protein type II alpha subunit (191 Activities)

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Scn9a Sodium channel protein type IX alpha subunit (69 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Scn8a Sodium channel protein type VIII alpha subunit (53 Activities)

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Scn10a Sodium channel protein type X alpha subunit (425 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 28.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.53, Max Conc. mM: 100
• Molekulargewicht: 285.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 285.109 Da
• Monoisotopic Mass: 285.109 Da
• Topological Polar Surface Area: 63.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 327.000
• 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