BF 738735 - ≥98%(HPLC) , CAS No.1436383-95-7

CAS: 1436383-95-7 Cat. No.: B286771 Summenformel: C₂₁H₁₉FN₄O₃S Molekulargewicht: 426.47

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

BF738735 | 2-Fluoro-4-[2-methyl-8-[[[3-(methylsulfonyl)phenyl]methyl]amino]imidazo[1,2-a]pyrazin-3-yl]phenol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

BF738735 | 2-Fluoro-4-[2-methyl-8-[[[3-(methylsulfonyl)phenyl]methyl]amino]imidazo[1,2-a]pyrazin-3-yl]phenol

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potent and selective ATP-competitive phosphatidylinositol 4-kinase III beta (PI 4-KIIIβ) inhibitor (IC50= 5.7 nM). Displays approximately 200-fold selectivity over PI 4-KIIIα. Broad spectrum enterovirus replication inhibitor.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

CC1=C(N2C=CN=C(C2=N1)NCC3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)O)F

IUPAC Name

2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

InChIKey

IMHZCCZYPHJVMS-UHFFFAOYSA-N

INCHI

1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24)

Isomere SMILES

CC1=C(N2C=CN=C(C2=N1)NCC3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)O)F

Molekulargewicht

426.47

Reaxy-Rn

23798949

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23798949&ln=

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: Benzenesulfonyl compounds Imidazopyrazines O-fluorophenols Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyrazines Fluorobenzenes Aryl fluorides N-substituted imidazoles Imidolactams Sulfones Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Amines Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Benzenesulfonyl group - Imidazopyrazine - Benzylamine - 2-halophenol - 2-fluorophenol - Aminopyrazine - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrazine - Imidolactam - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - N-substituted imidazole - Sulfonyl - Sulfone - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic 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

Zugehörige Ziele (menschlich)

PI4KB Tchem Phosphatidylinositol 4-kinase beta (1 Activities)

Discover Target: PI4KB

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

PI4KB Tchem PI4-kinase beta subunit (1593 Activities)

Discover Target: PI4KB

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

Huh-7 (12904 Activities)

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

HeLa (62764 Activities)

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

Zugehörige Ziele (nicht menschlich)

rhinovirus A45 (17 Activities)

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

rhinovirus A9 (11 Activities)

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

rhinovirus A41 (25 Activities)

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

rhinovirus A59 (5 Activities)

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

rhinovirus A63 (7 Activities)

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

rhinovirus B70 (7 Activities)

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

rhinovirus B86 (25 Activities)

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

rhinovirus A15 (23 Activities)

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

rhinovirus A39 (46 Activities)

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

rhinovirus A85 (12 Activities)

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

Coxsackievirus B3 (1096 Activities)

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

Poliovirus 1 (1274 Activities)

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

Poliovirus 3 (200 Activities)

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

Hepatitis C virus (23859 Activities)

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

Poliovirus 2 (222 Activities)

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

rhinovirus A2 (409 Activities)

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

rhinovirus A89 (34 Activities)

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

rhinovirus B14 (1052 Activities)

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

Enterovirus A71 (1246 Activities)

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

rhinovirus A29 (7 Activities)

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

rhinovirus B72 (7 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Coxsackievirus A9 (8 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 42.65, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.53, Max Conc. mM: 20
• Molekulargewicht: 426.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 426.116 Da
• Monoisotopic Mass: 426.116 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 690.000
• 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