Cardiogenol C hydrochloride - ≥98%(HPLC) , CAS No.1049741-55-0

CAS: 1049741-55-0 Cat. No.: C288471 Molecular Weight: 296.75

GRADE & PURITY ≥98%(HPLC)

Synonyms

J-690341 | Cardiogenol C hydrochloride, >=97% (HPLC), solid | Cardiogenol C HCl | FT-0700489 | 2-((2-((4-methoxyphenyl)amino)pyrimidin-4-yl)amino)ethan-1-ol hydrochloride | SMR004701463 | SR-01000946367-1 | SR-01000946367 | AKOS024457831 | Cardiogenol C -

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

J-690341 | Cardiogenol C hydrochloride, >=97% (HPLC), solid | Cardiogenol C HCl | FT-0700489 | 2-((2-((4-methoxyphenyl)amino)pyrimidin-4-yl)amino)ethan-1-ol hydrochloride | SMR004701463 | SR-01000946367-1 | SR-01000946367 | AKOS024457831 | Cardiogenol C -

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Induces differentiation of mouse embryonic stem cells (ESCs) into cardiomyocytes (EC50= 100 nM).

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768033
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768033
• Canonical Smiles: COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCCO.Cl
• IUPAC Name: 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol;hydrochloride
• InChIKey: QQAHYSZVJLHCNA-UHFFFAOYSA-N
• INCHI: 1S/C13H16N4O2.ClH/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18;/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17);1H
• Isomeric SMILES: COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCCO.Cl
• Molecular Weight: 296.75
• Reaxy-Rn: 59619103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59619103&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Alkanolamine - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Hydrochloride - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 29.68, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 29.68, Max Conc. mM: 100
• Molecular Weight: 296.750 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 296.104 Da
• Monoisotopic Mass: 296.104 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 247.000
• 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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