HDSF - ≥96% , CAS No.86855-26-7

CAS: 86855-26-7 Cat. No.: H331899 Molecular Weight: 308.5 Beilstein Registry Number: 4411921

GRADE & PURITY ≥96%

Synonyms

palmitylsulphonyl fluoride | 1-Hexadecanesulfonylfluoride | 1-Hexadecanesulfonyl fluoride | 1-HEXADECYLSULFONYL FLUORIDE | SYL-374 | Hexadecanesulfonyl fluoride | HY-125967 | AM 374 | BDBM50396293 | CHEBI:43275 | hexadecane-1-sulfonyl fluoride | Hexadecyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

HDSF is a serine-specific, active site-directed, modifying agent that acts as an irreversible inhibitor of Cln1 (palmitoyl-protein thioesterase-1 (Ki = 125 μM)). HDSF inhibits lipase, but not phospholipase C activity in Pseudomonas aeruginosa culture supernatant and phospholipase A activity in E. coli.

Specifications

Synonyms

palmitylsulphonyl fluoride | 1-Hexadecanesulfonylfluoride | 1-Hexadecanesulfonyl fluoride | 1-HEXADECYLSULFONYL FLUORIDE | SYL-374 | Hexadecanesulfonyl fluoride | HY-125967 | AM 374 | BDBM50396293 | CHEBI:43275 | hexadecane-1-sulfonyl fluoride | Hexadecyl

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥96%

Product Properties

• Ki Data: Cln1: Ki= 125 μM

Names and Identifiers

• Pubchem Sid: 488179777
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179777
• Canonical Smiles: CCCCCCCCCCCCCCCCS(=O)(=O)F
• IUPAC Name: hexadecane-1-sulfonyl fluoride
• InChIKey: QIVFMUVBIHIZAM-UHFFFAOYSA-N
• INCHI: 1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)F
• Molecular Weight: 308.5
• Beilstein: 4411921
• Reaxy-Rn: 4411921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4411921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Sulfonyl halides
      • Subclass Sulfonyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Sulfonyl halides
• Subclass: Sulfonyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl fluorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
• External Descriptors: acyl fluoride

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

Associated Targets(Human)

LPL Tchem Lipoprotein lipase (101 Activities)

Discover Target: LPL

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

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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

Associated Targets(non-human)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (10 mg/ml).
• Refractive Index: n20D1.45 (Predicted)
• Flash Point(°C): 188.6ºC
• Boil Point(°C): 388.3ºC at 760 mmHg
• Molecular Weight: 308.500 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 308.219 Da
• Monoisotopic Mass: 308.219 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 283.000
• 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