N-Hex-5-ynyl-2-iodo-acetamide - ≥97% , CAS No.930800-38-7

CAS: 930800-38-7 Cat. No.: I287459 Molecular Weight: 265.09

GRADE & PURITY ≥97%

Synonyms

IA-Alkyne

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

IA-Alkyne is a TRP channel (TRPC) agonist and has the potential for the study of respiratory infection. IA-Alkyne can be used to develop an isotopically tagged probe for quantitative cysteine-reactivity profiling.

Specifications

Synonyms

IA-Alkyne

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Broad spectrum cysteine reactive probe. Covalently binds cysteine residues in proteins. Can be utilized for covalent fragment-based ligand discovery (FBLD) and to identify Zn2+-binding cysteines. Used as a click-chemistry handle to attach a fluorophore or

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

AGONIST

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770346
• Canonical Smiles: C#CCCCCNC(=O)CI
• IUPAC Name: N-hex-5-ynyl-2-iodoacetamide
• InChIKey: YCRUVTMZPHEOAM-UHFFFAOYSA-N
• INCHI: 1S/C8H12INO/c1-2-3-4-5-6-10-8(11)7-9/h1H,3-7H2,(H,10,11)
• Isomeric SMILES: C#CCCCCNC(=O)CI
• Molecular Weight: 265.09
• Reaxy-Rn: 32295372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32295372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Acetylides Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Acetylide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 26.51, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 26.51, Max Conc. mM: 100
• Sensitivity: Light sensitive
• Molecular Weight: 265.090 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 264.996 Da
• Monoisotopic Mass: 264.996 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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