PF-670462 - ≥98%(HPLC) , CAS No.950912-80-8

CAS: 950912-80-8 Cat. No.: P127947 Fórmula: C₁₉H₂₀FN₅·2HCl Peso molecular: 410.32 PubChem CID: 51049607

GRADE & PURITY ≥98%(HPLC)

Synonyms

Q1964319 | PF670462/ PF-670462 | D68ANS5I8B | AKOS024457546 | PF 670462 | CHEBI:87236 | EX-A2193 | AS-73728 | BCP04305 | 2-Pirimidinamina, 4-(1-ciclohexil-4-(4-fluorofenil)-1H-imidazol-5-il)-, cloridrato (1:2) | BCP0726000078 | DTXSID50679609 | MFCD12

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

O PF 670462 é um inibidor seletivo da caseína quinase, da CK1ε e da CK1δ, que também mostra potência contra 42 outras cinases. Além disso, o PF 670462 pode inibir a translocação nuclear da proteína homóloga da proteína circadiana periódica 1 (PER1), que resulta em mudanças de fase nos ritmos circadianos.
Um inibidor seletivo da CK1ε e da CK1δ.

Specifications

Sinónimos

Q1964319 | PF670462/ PF-670462 | D68ANS5I8B | AKOS024457546 | PF 670462 | CHEBI:87236 | EX-A2193 | AS-73728 | BCP04305 | 2-Pirimidinamina, 4-(1-ciclohexil-4-(4-fluorofenil)-1H-imidazol-5-il)-, cloridrato (1:2) | BCP0726000078 | DTXSID50679609 | MFCD12

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

O PF-670462 é um inibidor seletivo das isoformas δ- e ε- da caseína quinase I, com valores IC50 de 7,7 e 14 nM, respetivamente, e seletividade >30 em relação a 42 outras quinases testadas. A caseína quinase Iε fosforila as proteínas PER, que estão envolvi

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 528766622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528766622
• Sorrisos canónicos: C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F.Cl.Cl
• IUPAC Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;dihydrochloride
• InChIKey: PSNKGVAXBSAHCH-UHFFFAOYSA-N
• INCHI: 1S/C19H20FN5.2ClH/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15;;/h6-12,15H,1-5H2,(H2,21,22,24);2*1H
• SMILES isoméricas: C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F.Cl.Cl
• WGK Alemanha: 3
• PubChem CID: 51049607
• Peso molecular: 410.32

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: Fluorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Descrição: 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: 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

Alvos associados (humanos)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

U2OS (164939 Activities)

Explore this target

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

Alvos associados (não humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

CSNK1D Casein kinase 1, delta tv1 (43 Activities)

Discover Target: CSNK1D

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (100 mM), and DMSO (100 mM).
• Sensibilidade: Moisture sensitive
• Peso molecular: 410.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 409.124 Da
• Monoisotopic Mass: 409.124 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 422.000
• 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: 3

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