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

CAS: 592-95-0 Cat. No.: S276444 Summenformel: C₆H₉NOS₂ Molekulargewicht: 175.27 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

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

Quelle

Brassica oleracea

Storage

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

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Hinweis

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.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528775505
• Kanonisches Lächeln: 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+
• Isomere SMILES: CS(=O)/C=C/CCN=C=S
• PubChem CID: 6433206
• Molekulargewicht: 175.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Molekulargewicht: 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