NSC 31206 , CAS No.24044-50-6

CAS: 24044-50-6 Cat. No.: N412281 Summenformel: C₁₁H₉NO₄S Molekulargewicht: 251.26

Synonyms

(Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione|CHEMBL232380|911714-34-6|24044-50-6|(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione|NSC31206|5-(4-hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione|SCHEMBL1248757|BD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

NSC 31206 is a bioactive compound.

Specifications

Synonyme

(Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione | CHEMBL232380 | 911714-34-6 | 24044-50-6 | (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | NSC31206 | 5-(4-hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione | SCHEMBL1248757 | BD

Biochemische und physiologische Mechanismen

NSC 31206 is a bioactive compound.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)S2)O
• IUPAC Name: (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
• InChIKey: KAICHBSRWFIESE-UITAMQMPSA-N
• INCHI: 1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
• Isomere SMILES: COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)O
• Molekulargewicht: 251.26
• Reaxy-Rn: 20210103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20210103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Thiazolidinediones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Thiazolidinedione - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Carbonic acid derivative - Thiocarbamic acid derivative - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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)

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Discover Target: F2

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TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

Discover Target: GSK3B

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 251.260 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 251.025 Da
• Monoisotopic Mass: 251.025 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 368.000
• 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