(E/Z)-GO289 - ≥98% , CAS No.694522-87-7

CAS: 694522-87-7 Cat. No.: E420051 Summenformel: C₁₇H₁₅BrN₄O₂S Molekulargewicht: 419.3 PubChem CID: 135401714

QUALITÄT & REINHEIT ≥98%

Synonyms

(E)-5-Bromo-2-methoxy-4-((3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-ylimino)methyl)phenol | 5-Bromo-2-methoxy-4-[[[3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-yl]imino]methyl]phenol | GO 289 | GO-289

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

(E)-5-Bromo-2-methoxy-4-((3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-ylimino)methyl)phenol | 5-Bromo-2-methoxy-4-[[[3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-yl]imino]methyl]phenol | GO 289 | GO-289

Spezifikationen & Reinheit

≥98%

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%

Namen und Kennungen

Pubchem Sid

504773259

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773259

Kanonisches Lächeln

COC1=C(C=C(C(=C1)C=NN2C(=NN=C2SC)C3=CC=CC=C3)Br)O

IUPAC Name

5-bromo-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol

InChIKey

DARDDBZKGVEVKB-VXLYETTFSA-N

INCHI

1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+

Isomere SMILES

COC1=C(C=C(C(=C1)/C=N/N2C(=NN=C2SC)C3=CC=CC=C3)Br)O

PubChem CID

135401714

Molekulargewicht

419.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Triazoles
        • Ebene5 Phenyltriazoles
          • Ebene6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Methoxyphenols Phenoxy compounds Methoxybenzenes M-bromophenols Anisoles Bromobenzenes Alkylarylthioethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Methoxyphenol - Phenoxy compound - Aryl thioether - Methoxybenzene - Phenol ether - 3-bromophenol - 3-halophenol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Halobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
• 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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TOP2B Tclin DNA topoisomerase II beta (959 Activities)

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PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)

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PTGES2 Tchem Prostaglandin E synthase 2 (329 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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SUMO1 Tbio Small ubiquitin-related modifier 1 (633 Activities)

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MCM2 Tbio DNA replication licensing factor MCM2 (21 Activities)

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NEDD4 Tchem E3 ubiquitin-protein ligase NEDD4 (2 Activities)

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CSNK2B Tbio Casein kinase 2 (358 Activities)

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PPP6R3 Tbio Serine/threonine-protein phosphatase 6 regulatory subunit 3 (2 Activities)

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EIF5B Tchem Eukaryotic translation initiation factor 5B (170 Activities)

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WDHD1 Tbio WD repeat and HMG-box DNA-binding protein 1 (3 Activities)

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CTNNA1 Tbio Catenin alpha-1 (1 Activities)

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SQSTM1 Tbio Sequestosome-1 (7 Activities)

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TNKS1BP1 Tbio 182 kDa tankyrase-1-binding protein (4 Activities)

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DDX21 Tbio Nucleolar RNA helicase 2 (1 Activities)

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KPNA3 Tbio Importin subunit alpha-4 (1 Activities)

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CCDC43 Coiled-coil domain-containing protein 43 (1 Activities)

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Cdk4 Cyclin-dependent kinase 4 (3 Activities)

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Acaca Acetyl-Coenzyme A carboxylase (7 Activities)

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Tpr Nucleoprotein TPR (1 Activities)

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Impact Protein IMPACT (1 Activities)

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Strn Striatin (1 Activities)

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Pja1 E3 ubiquitin-protein ligase Praja-1 (1 Activities)

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Birc6 Baculoviral IAP repeat-containing protein 6 (1 Activities)

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Zbtb7a Zinc finger and BTB domain-containing protein 7A (1 Activities)

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Smarcad1 SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1 (1 Activities)

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Ric8a Synembryn-A (1 Activities)

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Trmt1 tRNA (guanine(26)-N(2))-dimethyltransferase (2 Activities)

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Edc4 Enhancer of mRNA-decapping protein 4 (1 Activities)

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Sec31a Protein transport protein Sec31A (2 Activities)

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Srrm1 Serine/arginine repetitive matrix protein 1 (2 Activities)

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Tmpo Lamina-associated polypeptide 2, isoforms beta/delta/epsilon/gamma (2 Activities)

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Hcfc1 Host cell factor 1 (1 Activities)

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Ahnak Desmoyokin (2 Activities)

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Ktn1 Kinectin (2 Activities)

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Atrx Transcriptional regulator ATRX (2 Activities)

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Dpysl3 Dihydropyrimidinase-related protein 3 (2 Activities)

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Atg9a Autophagy-related protein 9A (2 Activities)

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Cep170 Centrosomal protein of 170 kDa (2 Activities)

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Phldb1 Pleckstrin homology-like domain family B member 1 (2 Activities)

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Washc2 WASH complex subunit 2 (2 Activities)

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Larp1 La-related protein 1 (2 Activities)

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Ehd2 EH domain-containing protein 2 (2 Activities)

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Pdcl3 Phosducin-like protein 3 (1 Activities)

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Fermt2 Fermitin family homolog 2 (2 Activities)

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Bclaf1 Bcl-2-associated transcription factor 1 (1 Activities)

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Plcd3 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-3 (2 Activities)

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Arhgap35 Rho GTPase-activating protein 35 (2 Activities)

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Eif2s2 Eukaryotic translation initiation factor 2 subunit 2 (1 Activities)

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Chmp3 Charged multivesicular body protein 3 (1 Activities)

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UPF0690 protein C1orf52 homolog (1 Activities)

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Nop56 Nucleolar protein 56 (1 Activities)

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Pold3 DNA polymerase delta subunit 3 (1 Activities)

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Lima1 LIM domain and actin-binding protein 1 (1 Activities)

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Myo18a Unconventional myosin-XVIIIa (1 Activities)

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Tjp2 Tight junction protein ZO-2 (1 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 419.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 418.01 Da
• Monoisotopic Mass: 418.01 Da
• Topological Polar Surface Area: 97.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 452.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 694522-87-7, the molecular formula is C17H15BrN4O2S, and the molecular weight is 419.3 g/mol. InChIKey DARDDBZKGVEVKB-VXLYETTFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.