| Identification | Back Directory | [Name]
3-Amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-2-pyridinecarboxamide | [CAS]
1334546-77-8 | [Synonyms]
Icenticaftor
3-Amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
inhibit,Icenticaftor,COPD,CFTR,QBW 251,cystic,Inhibitor,G551D,Cystic fibrosis transmembrane conductance regulator,F508del,QBW-251,fibrosis,oral | [Molecular Formula]
C12H13F6N3O3 | [MDL Number]
MFCD31631074 | [MOL File]
1334546-77-8.mol | [Molecular Weight]
361.24 |
| Chemical Properties | Back Directory | [Boiling point ]
440.027±45.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.467±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 150 mg/mL (415.24 mM; ultrasonic and warming and heat to 60°C) | [form ]
Solid | [pka]
11.536±0.29(predicted) | [color ]
White to yellow | [InChI]
InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1 | [InChIKey]
USHQRIKZLHNPQR-JTQLQIEISA-N | [SMILES]
O(C1N=C(C(=CC=1C(F)(F)F)N)C(=O)NC[C@@](O)(C)C(F)(F)F)C |
| Hazard Information | Back Directory | [Uses]
Icenticaftor (QBW251) is an orally active CFTR channel potentiator, with EC50s of 79 nM and 497 nM for F508del and G551D CFTR, respectively. Icenticaftor can be used for chronic obstructive pulmonary disease (COPD) and cystic fibrosis research[1]. | [in vivo]
In Sprague-Dawley rats, the pharmacokinetic profile of Icenticaftor is established. After oral administration at a dose of 3 mg/kg, the oral bioavailability is 90%, and AUClast is 20 635 nmol/L h[1]. | [References]
[1] Darren Le Grand, et al. Discovery of Icenticaftor (QBW251), a Cystic Fibrosis Transmembrane Conductance Regulator Potentiator with Clinical Efficacy in Cystic Fibrosis and Chronic Obstructive Pulmonary Disease. J Med Chem. 2021 Jun 10;64(11):7241-7260. DOI:10.1021/acs.jmedchem.1c00343
[2] Steven M Rowe, et al. Efficacy and Safety of the CFTR Potentiator Icenticaftor (QBW251) in COPD: Results from a Phase 2 Randomized Trial. Int J Chron Obstruct Pulmon Dis. 2020 Oct 5;15:2399-2409. DOI:10.2147/COPD.S257474 |
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| Company Name: |
Bide Pharmatech Ltd.
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| Telephone: |
400-1647117 13681763483 |
| Website: |
https://www.bidepharm.com/ |
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