Sulforaphene - Moligand™, ≥98% , CAS No.592-95-0

CAS: 592-95-0 Cat. No.: S276444 Fórmula: C₆H₉NOS₂ Peso molecular: 175.27 Número CE: 889-720-1 PubChem CID: 6433206

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sulforaphen | 4-Isothiocyanato-1-(methylsulfinyl)-1-butene | ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER | SCHEMBL2937706 | S-Sulforaphene | AKOS006274434 | 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)- | (-)4-Isothiocyanato-4R-(methylsulfinyl

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

Sulforaphene exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals

Specifications

Sinónimos

Sulforaphen | 4-Isothiocyanato-1-(methylsulfinyl)-1-butene | ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER | SCHEMBL2937706 | S-Sulforaphene | AKOS006274434 | 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)- | (-)4-Isothiocyanato-4R-(methylsulfinyl

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Carcinogenesis inhibitor. Anticancer, antidiabetic and antioxidant effects. Active in vivo and in vitro .

Fonte

Brassica oleracea

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528775505
• Sorrisos canónicos: CS(=O)C=CCCN=C=S
• IUPAC Name: (E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
• InChIKey: QKGJFQMGPDVOQE-HWKANZROSA-N
• INCHI: 1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+
• SMILES isoméricas: CS(=O)/C=C/CCN=C=S
• PubChem CID: 6433206
• Peso molecular: 175.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Sulfoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfoxides
• Alternative Parents: Isothiocyanates Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfoxide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
• 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

Alvos associados (humanos)

A-375 (9258 Activities)

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

A549 (127892 Activities)

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HCT-116 (91556 Activities)

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HeLa (62764 Activities)

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Alvos associados (não humanos)

Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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
• Peso molecular: 175.300 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 175.013 Da
• Monoisotopic Mass: 175.013 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 182.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1