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CAS 722543-50-2

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1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-, hydrochloride (1:2)

Description:
1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-, hydrochloride (1:2) is a complex organic compound characterized by its multi-functional structure, which includes a pyrazole ring, a quinazoline moiety, and a phosphonooxyethyl group. This compound is typically classified as a pharmaceutical intermediate or active ingredient, potentially exhibiting biological activity due to its diverse functional groups. The presence of the hydrochloride salt form suggests enhanced solubility in aqueous environments, which is often desirable for drug formulation. The ethyl and fluorophenyl substituents may contribute to its pharmacokinetic properties, influencing absorption, distribution, metabolism, and excretion. Additionally, the compound's structure indicates potential interactions with biological targets, making it of interest in medicinal chemistry. As with many such compounds, safety and efficacy would need to be evaluated through rigorous testing, including toxicity studies and pharmacological assessments, to determine its suitability for therapeutic applications.
Formula:C26H31FN7O6P·2ClH
InChI:InChI=1S/C26H31FN7O6P.2ClH/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19;;/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33);2*1H
InChI key:InChIKey=PEVRMFUIHQMEHQ-UHFFFAOYSA-N
SMILES:N(C=1C2=C(C=C(OCCCN(CCOP(=O)(O)O)CC)C=C2)N=CN1)C3=CC(CC(NC4=CC(F)=CC=C4)=O)=NN3.Cl
Synonyms:
  • 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-, hydrochloride (1:2)
  • 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-, dihydrochloride
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