CP 24,879 (hydrochloride) - ≥98% , CAS No.10141-51-2

CAS: 10141-51-2 Cat. No.: C338229 Molecular Weight: 215.72 EC Number: 634-430-0

GRADE & PURITY ≥98%

Synonyms

Benzenamine, 4-(3-methylbutoxy)-, hydrochloride (9CI) | CP-24879 (hydrochloride) | SR-01000946202 | HY-115319 | 4-(isopentyloxy)aniline hydrochloride | 4-(3-methylbutoxy)aniline;hydrochloride | CP 24,879 (hydrochloride) | 4-(3-methylbutoxy)aniline hydroch

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Essential fatty acid deficiency symptoms include immune system depression and a general state of inflammatory inhibition. CP 24,879 is an inhibitor of arachidonic acid biosynthesis acting via the inhibition of Δ5/Δ6 desaturase. Mice injected with CP 24,879 at 3 mg/kg had a reduction of liver arachidonate content of approximately 50%. Murine mastocytoma cells treated with 5 μM CP 24,879 showed increased mead acid content and nearly complete ablation of leukotriene C4 synthesis, consistent with a desaturase inhibition-induced state of essential fatty acid deficiency.

Specifications

Synonyms

Benzenamine, 4-(3-methylbutoxy)-, hydrochloride (9CI) | CP-24879 (hydrochloride) | SR-01000946202 | HY-115319 | 4-(isopentyloxy)aniline hydrochloride | 4-(3-methylbutoxy)aniline;hydrochloride | CP 24, 879 (hydrochloride) | 4-(3-methylbutoxy)aniline hydroch

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768034
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768034
• Canonical Smiles: CC(C)CCOC1=CC=C(C=C1)N.Cl
• IUPAC Name: 4-(3-methylbutoxy)aniline;hydrochloride
• InChIKey: GFESZSNFRSACMU-UHFFFAOYSA-N
• INCHI: 1S/C11H17NO.ClH/c1-9(2)7-8-13-11-5-3-10(12)4-6-11;/h3-6,9H,7-8,12H2,1-2H3;1H
• Isomeric SMILES: CC(C)CCOC1=CC=C(C=C1)N.Cl
• WGK Germany: 3
• Molecular Weight: 215.72
• Reaxy-Rn: 3704876
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3704876&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the 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: Soluble in ethanol (~30 mg/ml), DMSO (~30 mg/ml), DMF (~30 mg/ml), 1: 3 solution of ethanol: PBS (pH 7.2) (~0.5 mg/ml), and water (0.5 mg/ml at 25.0° C).
• Refractive Index: n20D~1.52 (Predicted)
• Boil Point(°C): 322.1° C at 760 mmHg (Predicted)
• Melt Point(°C): 154-159° C
• Molecular Weight: 215.720 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.108 Da
• Monoisotopic Mass: 215.108 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 128.000
• 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: 2

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