Diallyl Trisulfide (DATS) - Moligand™,≥65% , CAS No.2050-87-5

CAS: 2050-87-5 Cat. No.: D302734 Formule: C₆H₁₀S₃ Poids moléculaire: 178.34 Numéro CE: 218-107-8

GRADE & PURITY Moligand™, ≥65%

Synonyms

CHEBI:78492 | EINECS 218-107-8 | Trisulfide, di-2-propenyl | Dasuansu | NSC 651936 | AS-75640 | Di-2-propenyl trisulfide | Trisulfide, di-2-propenyl (9CI) | DTXCID7025972 | HY-117235 | Diprop-2-en-1-yltrisulfane | CAS-2050-87-5 | FEMA 3265 | UBAXRAHSPKWNC

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Diallyl trisulfide, a constituent of garlic and onions, is a proapoptotic compound that also posesses antioxidant activity.

Diallyl trisulfide has been used to study its anti-carcinogenic properties in glioma and bladder cancer cell

Specifications

Synonymes

CHEBI:78492 | EINECS 218-107-8 | Trisulfide, di-2-propenyl | Dasuansu | NSC 651936 | AS-75640 | Di-2-propenyl trisulfide | Trisulfide, di-2-propenyl (9CI) | DTXCID7025972 | HY-117235 | Diprop-2-en-1-yltrisulfane | CAS-2050-87-5 | FEMA 3265 | UBAXRAHSPKWNC

Spécifications et pureté

Moligand™,≥65%

Mécanismes biochimiques et physiologiques

Organosulphur compound. Increases glutathione S-transferase production (GST) and shows antimicrobial and chemoprotetive properties.

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Note

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.

Pureté

≥65%

Noms et identifiants

Pubchem Sid

528769681

Sourires canoniques

C=CCSSSCC=C

IUPAC Name

3-(prop-2-enyltrisulfanyl)prop-1-ene

InChIKey

UBAXRAHSPKWNCX-UHFFFAOYSA-N

INCHI

1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2

Isomères SMILES

C=CCSSSCC=C

Poids moléculaire

178.34

Reaxy-Rn

1745734

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745734&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Organic trisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Organic trisulfides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic trisulfides
• Alternative Parents: Allyl sulfur compounds Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic trisulfide - Allyl sulfur compound - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl).
• External Descriptors: organic trisulfide

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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MDCK (10148 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 178.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 177.994 Da
• Monoisotopic Mass: 177.994 Da
• Topological Polar Surface Area: 75.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 70.400
• 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