Perfluorodecanesulfonic acid(PFDS) - ≥95% , CAS No.335-77-3

CAS: 335-77-3 Cat. No.: H694199 Peso molecular: 600.14 PubChem CID: 67636

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Perfluorodecanesulfonic acid is a competitive inhibitor of human placenta-derived 3β-hydroxysteroid dehydrogenase 1 (3β-HSD1) with IC₅₀ = 42.52 ± 8.99 μM in vitro. Compared with PFOS, the inhibitory activity of Perfluorodecanesulfonic acid is weaker, but it can still significantly inhibit progesterone synthesis in JEG-3 cells (1-10 μM, 24 h). Perfluorodecanesulfonic acid does not inhibit the 3β-HSD4 activity of rats or the aromatase activity of humans (it is ineffective at a concentration of 100 μM).

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid
• InChIKey: HYWZIAVPBSTISZ-UHFFFAOYSA-N
• INCHI: 1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)
• Isómeros SMILES: C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• PubChem CID: 67636
• Peso molecular: 600.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl sulfonic acid and derivatives
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perfluoroalkyl sulfonic acid and derivatives. These are organic compounds containing an alkyl chain attached to the sulfur of a sulfonic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine 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

Propiedades químicas y físicas

• Peso molecular: 600.150 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 9
• Exact Mass: 599.931 Da
• Monoisotopic Mass: 599.931 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 907.000
• 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

Referencias

1. Chengwei Zhou, Wei Chen, Rongrong Xuan, Xinyuan Kang, Jiazhen Wang, Jason T. Magnuson, Jialin Li, Di Fang, Wenhui Qiu.  (2025)  Perfluorodecanesulfonate (PFDS) induces innate immune toxicity through the NF-κB pathway in early life stage zebrafish.  ENVIRONMENT INTERNATIONAL,      [PMID:40683240] [10.1016/j.envint.2025.109688]