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

CAS: 1049741-55-0 Cat. No.: C288471 Summenformel: C₁₃H₁₇ClN₄O₂ Molekulargewicht: 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

Synonyme

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 -

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504768033

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768033

Kanonisches Lächeln

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

Isomere SMILES

COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCCO.Cl

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 29.68, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 29.68, Max Conc. mM: 100
• Molekulargewicht: 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

XLogP3