Sulfureto de dialilo - ≥98% , CAS No.592-88-1

CAS: 592-88-1 Cat. No.: D101110 Fórmula: C₆H₁₀S Peso molecular: 114.21 Beilstein Registry Number: 1736016 Número CE: 209-775-1

GRADE & PURITY ≥98%

Synonyms

NSC 20947 | 1-Propeno,3'-tiobis- | 3-Alilsulfanilprop-1-eno | 3-Alilsulfanil-propeno | Sulfureto de di(2-propenilo) | LS-13159 | SPBio_000793 | Sulfureto de alilo, 97% | HSDB 7333 | 4-01-00-02097 (Referência do Manual Beilstein) | SULFURETO DE DI(2-PROPEN

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

Aplicação：

O sulfeto de dialila é um modulador da enzima metabolizadora de drogas do sistema P450 e indutor da enzima desintoxicante de fase II GST. O sulfureto de dialilo é também um inibidor do CYP2E1 e acredita-se que previne a carcinogénese induzida quimicamente em muitos tecidos. É também utilizado como aditivo alimentar. É também utilizado como uma importante matéria-prima e intermediário utilizado na síntese orgânica, farmacêutica, agroquímica e corante.

Specifications

Sinónimos

NSC 20947 | 1-Propeno,3'-tiobis- | 3-Alilsulfanilprop-1-eno | 3-Alilsulfanil-propeno | Sulfureto de di(2-propenilo) | LS-13159 | SPBio_000793 | Sulfureto de alilo, 97% | HSDB 7333 | 4-01-00-02097 (Referência do Manual Beilstein) | SULFURETO DE DI(2-PROPEN

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Os compostos orgânicos de enxofre do alho podem inibir a carcinogénese química induzida em animais experimentais. O inibidor competitivo do citocromo P450 2E1 (CYP2E1) bloqueia correspondentemente a ativação de vários carcinogéneos químicos.

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508812192

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812192

Sorrisos canónicos

C=CCSCC=C

IUPAC Name

3-prop-2-enylsulfanylprop-1-ene

InChIKey

UBJVUCKUDDKUJF-UHFFFAOYSA-N

INCHI

1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

SMILES isoméricas

C=CCSCC=C

WGK Alemanha

2

RTECS

BC4900000

Número UN

1993

Peso molecular

114.21

Beilstein

1736016

Reaxy-Rn

1736016

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Allyl sulfur compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Allyl sulfur compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Allyl sulfur compounds
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Allyl sulfur compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as allyl sulfur compounds. These are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS.
• External Descriptors: organic sulfide

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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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

HBA1 Tclin Hemoglobin HbA (880 Activities)

Discover Target: HBA1

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SCNN1A Tclin Amiloride-sensitive sodium channel, ENaC (10 Activities)

Discover Target: SCNN1A

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Alvos associados (não humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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MDCK (10148 Activities)

Explore this target

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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Mdr1a Multidrug resistance protein 1a (106 Activities)

Discover Target: Mdr1a

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

Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)

Discover Target: Slco1a4

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not soluble in water, but miscible with ethanol, ether, chloroform, and carbon tetrachloride.
• Índice de refração: 1.4879-1.4899
• Ponto de inflamação (°F): 114.8 °F
• Ponto de inflamação (°C): 46℃
• Ponto de ebulição (°C): 138°C
• Ponto de fusão (°C): -83°C
• Peso molecular: 114.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.05 Da
• Monoisotopic Mass: 114.05 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 49.200
• 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