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CAS 835621-08-4

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2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, methanesulfonate (1:1)

Description:
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, methanesulfonate (1:1), commonly referred to by its CAS number 835621-08-4, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyridine ring, multiple aromatic systems, and functional groups such as amides and sulfonates. This compound exhibits properties typical of pharmaceuticals, including potential bioactivity due to its ability to interact with biological targets. The presence of halogen substituents, such as chlorine and fluorine, often enhances lipophilicity and can influence the compound's pharmacokinetics and pharmacodynamics. Additionally, the methanesulfonate moiety may enhance solubility in aqueous environments, making it suitable for various formulations. The compound's specific applications and mechanisms of action would depend on its interactions at the molecular level, which could involve enzyme inhibition or receptor modulation. Overall, this compound represents a class of molecules that may have therapeutic potential, warranting further investigation in medicinal chemistry and drug development.
Formula:C21H15ClF4N4O3·CH4O3S
InChI:InChI=1S/C21H15ClF4N4O3.CH4O3S/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;1-5(2,3)4/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H3,(H,2,3,4)
InChI key:InChIKey=PAZXTVFHRWRCLP-UHFFFAOYSA-N
SMILES:O(C=1C=C(C(NC)=O)N=CC1)C2=CC(F)=C(NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O)C=C2.S(C)(=O)(=O)O
Synonyms:
  • 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, monomethanesulfonate
  • 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, methanesulfonate (1:1)
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