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 Formule: C₁₃H₁₄F₃N₃O Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

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

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504771818

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771818

Sourires canoniques

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)

Isomères SMILES

CC(C)(C1=NC=C(N1)C2=CC=C(C=C2)OC(F)(F)F)N

PubChem CID

65459349

Poids moléculaire

285.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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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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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Cibles associées (non humaines)

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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 28.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.53, Max Conc. mM: 100
• Poids moléculaire: 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