Erysolin - ≥97% , CAS No.504-84-7

CAS: 504-84-7 Cat. No.: E275636 分子式: C₆H₁₁NO₂S₂ 分子量: 193.29 EC番号: 637-130-8

グレード＆純度 ≥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

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

仕様

同義語

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 もっと見る

仕様と純度

≥97%

生化学的・生理学的メカニズム

Potent and selective phase II enzyme inducer. Increases the daunomycin and vinblastine levels in PANC-1 cells.

ソース

Synthetic

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

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.

純度

≥97%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water
• 分子量: 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

よくある質問

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.