DAUDA - ≥98% , CAS No.73025-02-2

CAS: 73025-02-2 Cat. No.: D351182 Molecular Weight: 434.59 EC Number: 634-721-2

GRADE & PURITY ≥98%

Synonyms

11-(5-(dimethylamino)naphthalene-1-sulfonamido)undecanoic acid | 11-[[5-(dimethylamino)naphthalen-1-yl]sulonylamino]undecanoic acid | DAUDA | SCHEMBL591663 | Undecanoic acid, 11-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)- | 11-[5-(Dimethylamino)-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

DAUDA is an environment-sensitive fluorescent fatty acid analogue that alters its intensities and fluorescent emission spectra on entry into binding proteins. DAUDA has been used to determine the relative affinity of natural fatty acids for polymorphs of the|Schistosoma mansoni|Sm14 fatty acid-binding protein.

Specifications

Synonyms

11-(5-(dimethylamino)naphthalene-1-sulfonamido)undecanoic acid | 11-[[5-(dimethylamino)naphthalen-1-yl]sulonylamino]undecanoic acid | DAUDA | SCHEMBL591663 | Undecanoic acid, 11-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)- | 11-[5-(Dimethylamino)-

Specifications & Purity

≥98%

Storage

Protected from light, 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

≥98%

Names and Identifiers

• Pubchem Sid: 504756858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756858
• Canonical Smiles: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCCCC(=O)O
• IUPAC Name: 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoic acid
• InChIKey: CEPGVMDMVJGHFQ-UHFFFAOYSA-N
• INCHI: 1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)
• Isomeric SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCCCC(=O)O
• Molecular Weight: 434.59
• Reaxy-Rn: 8946533
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8946533&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Medium-chain fatty acids Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Organosulfonic acid amide - Fatty acyl - Fatty acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Amino acid - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

Chemical and Physical Properties

• Solubility: DMF：25 mg / ml, DMSO：25 mg / ml, Ethanol: 30 mg / ml, Ethanol: PBS (pH 7.2) (1:1): 0.5 mg / ml
• Sensitivity: Light sensitive
• Molecular Weight: 434.600 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 434.224 Da
• Monoisotopic Mass: 434.224 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 603.000
• 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