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CAS 2216712-66-0

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Elexacaftor

Description:
Elexacaftor is a small molecule drug primarily used in the treatment of cystic fibrosis, particularly in patients with specific mutations in the CFTR gene. It functions as a CFTR modulator, enhancing the processing and function of the CFTR protein, which is crucial for maintaining the balance of salt and water on epithelial surfaces. Elexacaftor is often used in combination with other CFTR modulators, such as tezacaftor and ivacaftor, to improve therapeutic efficacy. The substance is characterized by its ability to increase the quantity of functional CFTR protein at the cell surface, thereby improving chloride transport and alleviating symptoms associated with cystic fibrosis. Elexacaftor is administered orally and has been shown to improve lung function and reduce pulmonary exacerbations in patients. Its chemical structure includes specific functional groups that contribute to its activity and pharmacokinetic properties, making it a vital component in the management of cystic fibrosis. As with any medication, potential side effects and contraindications should be considered, and it is essential to follow medical guidance when using this drug.
Formula:C26H34F3N7O4S
InChI:InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1
InChI key:MVRHVFSOIWFBTE-INIZCTEOSA-N
SMILES:C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)C)(C)C
Synonyms:
  • Elexacaftor VX-445
  • N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
  • 3-Pyridinecarboxamide, N-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-1-pyrrolidinyl]-
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