JW 74 - ≥99%(HPLC) , CAS No.863405-60-1

CAS: 863405-60-1 Cat. No.: J288239 Summenformel: C₂₄H₂₀N₆O₂S Molekulargewicht: 456.52

GRADE & PURITY ≥99%(HPLC)

Synonyms

JW74 | JW-74 | 4-[4-(4-Methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-4H-1,2,4-triazol-3-yl]-pyridine

Storage

Store at -20°C

Shipped In

Eistruhe + Eispads

Übersicht

JW74 antagonisiert die LiCl-induzierte Aktivierung der kanonischen Wnt-Signalübertragung mit einer IC50 von 420 nM.

Anwendung：

JW74 wurde auch verwendet, um seine Wirksamkeit bei gleichzeitiger Strahlen- und Cisplatin (CDDP)-vermittelter Zytotoxizität unter Verwendung von HeLa- und Gebärmutterhalskrebs-SiHa-Zelllinien zu testen. JW74 wurde verwendet, um den β-Catenin-Spiegel in primordialen Keimzellen (PGCs) von Hühnern in vitro zu modulieren. JW74 wurde verwendet, um den β-Catenin-Spiegel in primordialen Keimzellen (PGCs) von Hühnern in vitro zu modulieren

Specifications

Synonyme

JW74 | JW-74 | 4-[4-(4-Methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-4H-1,2,4-triazol-3-yl]-pyridine

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Inhibitor der kanonischen Wnt-Signalübertragung (IC50= 790 nM). Zielt auf denβ-Catenin-Zerstörungskomplex (GSK-3 beta /AXIN/APC). Erhöht AXIN2 und verringert den aktivenβ-Catenin-Spiegel in Darmkrebszellen. Verlangsamt auch den Zellzyklus in G1 und hemmt

Storage

Store at -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

ANTAGONIST

Reinheit

≥99%(HPLC)

Namen und Kennungen

Pubchem Sid

528765018

Kanonisches Lächeln

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5

IUPAC Name

5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

InChIKey

KRIKILRRJCIWNB-UHFFFAOYSA-N

INCHI

1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3

Isomere SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5

WGK Deutschland

3

Molekulargewicht

456.52

Reaxy-Rn

20924401

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20924401&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Oxadiazoles
        • Ebene5 1,2,4-oxadiazoles
          • Ebene6 Phenyloxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: 1,2,4-oxadiazoles
• Direct Parent: Phenyloxadiazoles
• Alternative Parents: Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Phenyl-1,2,4-oxadiazole - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Alkylarylthioether - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - 1,2,4-triazole - Triazole - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole 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)

CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)

Discover Target: CYP2C9

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

AXIN2 Tchem Axin-2 (1 Activities)

Discover Target: AXIN2

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

TNKS2 Tchem Tankyrase-2 (2 Activities)

Discover Target: TNKS2

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

KCNH2 Tclin HERG (29587 Activities)

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

SULT2A1 Tbio Alcohol sulfotransferase (89 Activities)

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

SW480 (6023 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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

NR5A1 Tchem Steroidogenic factor 1 (399 Activities)

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

PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)

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

TNKS Tchem Tankyrase-1 (1241 Activities)

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

Liver microsomes (16955 Activities)

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TNKS2 Tchem Tankyrase-2 (1531 Activities)

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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

ATXN2 Tbio Ataxin-2 (54410 Activities)

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

TNKS2 Tchem Tankyrase 1/2 (384 Activities)

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

HEK-293T (167025 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wnt3a Protein Wnt-3a (429 Activities)

Discover Target: Wnt3a

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

Axin2 Axin-2 (1 Activities)

Discover Target: Axin2

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 45.65, Max Conc. mM: 100
• Molekulargewicht: 456.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 456.137 Da
• Monoisotopic Mass: 456.137 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 596.000
• 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