DU-14 - ≥98% , CAS No.186303-55-9

CAS: 186303-55-9 Cat. No.: D275337 Molecular Weight: 426.6

GRADE & PURITY ≥98%

Synonyms

DU 14 | N-[2-[4-[(Aminosulfonyl)oxy]phenyl]ethyl]-tetradecanamide | DTXSID90171874 | MFCD19381840 | AKOS037644468 | J-011956 | Tetradecanamide,N-[2-[4-[(aminosulfonyl)oxy]phenyl]ethyl]- | BDBM50078543 | Sulfamic acid, 4-(2-((1-oxotetradecyl)amino)ethyl)ph

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonyms

DU 14 | N-[2-[4-[(Aminosulfonyl)oxy]phenyl]ethyl]-tetradecanamide | DTXSID90171874 | MFCD19381840 | AKOS037644468 | J-011956 | Tetradecanamide, N-[2-[4-[(aminosulfonyl)oxy]phenyl]ethyl]- | BDBM50078543 | Sulfamic acid, 4-(2-((1-oxotetradecyl)amino)ethyl)ph

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Steroid sulfatase inhibitor. Enhances learning and spatial memory in rats. Inhibits proliferation of human MCF-7 breast cancer cells.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N
• IUPAC Name: [4-[2-(tetradecanoylamino)ethyl]phenyl] sulfamate
• InChIKey: MBODHUVGZPZRBW-UHFFFAOYSA-N
• INCHI: 1S/C22H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N
• Molecular Weight: 426.6
• Reaxy-Rn: 9362682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9362682&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: N-acyl amines Organic sulfuric acids and derivatives Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Fatty amide - N-acyl-amine - Fatty acyl - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

Associated Targets(Human)

STS Tchem Steryl-sulfatase (2 Activities)

Discover Target: STS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 50 mM
• Molecular Weight: 426.600 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 426.255 Da
• Monoisotopic Mass: 426.255 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 511.000
• 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