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

CAS: 592-95-0 Cat. No.: S276444 분자식: C₆H₉NOS₂ 분자량: 175.27 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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

출처

Brassica oleracea

보관 조건

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

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

참고

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.

순수함

≥98%

이름과 식별자

Pubchem Sid

528775505

정식 스마일

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+

이성체 SMILES

CS(=O)/C=C/CCN=C=S

PubChem CID

6433206

분자량

175.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 분류 Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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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A-375 (9258 Activities)

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A549 (127892 Activities)

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HCT-116 (91556 Activities)

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HeLa (62764 Activities)

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관련 대상(비인간)

Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water
• 분자량: 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