Erysolina - ≥97% , CAS No.504-84-7

CAS: 504-84-7 Cat. No.: E275636 Fórmula: C₆H₁₁NO₂S₂ Peso molecular: 193.29 Número CE: 637-130-8

GRAU & PUREZA ≥97%

Synonyms

1-isothiocyanato-4-(methylsulfonyl)butane|ACM 504847|4-methylsulfonylbutyl isothiocyanate|ACM-504847|Butane, 1-isothiocyanato-4-(methylsulfonyl)-|Isothiocyanic acid, 4-(methylsulfonyl)butyl ester|4-Isothiocyanatobutyl methyl sulfone|Erysolin|4-(Methylsulfonyl)-butyl isothiocyanate|CCG 38863|1-isothiocyanato-4-methylsulfonylbutane|1-Isothiocyanato-4-(methylsulphonyl)butane|SDCCGMLS-0066701.P001

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Armazenar a -20°C. Armazenar em condições de dessecação. O produto pode ser armazenado até 12 meses.

Especificações

Sinónimos

1-isothiocyanato-4-(methylsulfonyl)butane | ACM 504847 | 4-methylsulfonylbutyl isothiocyanate | ACM-504847 | Butane, 1-isothiocyanato-4-(methylsulfonyl)- | Isothiocyanic acid, 4-(methylsulfonyl)butyl ester | 4-Isothiocyanatobutyl methyl sulfone | Erysolin | 4-(Methylsulfonyl)-butyl isothiocyanate | CCG 38863 | 1-isothiocyanato-4-methylsul Show more

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

Indutor enzimático de fase II potente e seletivo. Aumenta os níveis de daunomicina e vinblastina nas células PANC-1.

Fonte

Synthetic

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CS(=O)(=O)CCCCN=C=S

IUPAC Name

1-isothiocyanato-4-methylsulfonylbutane

InChIKey

WNCZPWWLBZOFJL-UHFFFAOYSA-N

INCHI

1S/C6H11NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h2-5H2,1H3

SMILES isoméricas

CS(=O)(=O)CCCCN=C=S

Peso molecular

193.29

Reaxy-Rn

1774133

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774133&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

Alvos associados (não humanos)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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: 193.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 193.023 Da
• Monoisotopic Mass: 193.023 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 504-84-7, the molecular formula is C6H11NO2S2, and the molecular weight is 193.29 g/mol. InChIKey WNCZPWWLBZOFJL-UHFFFAOYSA-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.