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Elexacaftor

Catalog No: 2052801
CAS Number: 2216712-66-0
Purity: 98% Min.

Elexacaftor, also known as VX-445 and WHO 11180, is a next-generation cystic fibrosis transmembrane conductance regulator (CFTR) corrector designed to restore Phe508del CFTR protein function in patients with cystic fibrosis when administered with tezacaftor and ivacaftor (VX-445–tezacaftor–ivacaftor).

For research use only. We do not sell to patients.

Chemical Information

NameElexacaftor
Iupac Chemical Name(S)-N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide
SynonymsElexacaftor, WHO 11180; WHO 11180; WHO11180; VX-445; VX 445; VX445; Trikafta.
Molecular FormulaC26H34F3N7O4S
Molecular Weight597.6582
SmileO=C(C1=CC=C(N2N=C(OCC(C)(C)C(F)(F)F)C=C2)N=C1N3C(C)(C)C[C@H](C)C3)NS(=O)(C4=CN(C)N=C4C)=O
InChiKeyMVRHVFSOIWFBTE-INIZCTEOSA-N
InChiInChI=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
CAS Number2216712-66-0
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Ordering Information

PackagingPriceAvailabilityPurityShipping Time
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FormulationSolid powder
Purity98% Min.
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
SolubilitySoluble in DMSO
Handling
Shipping ConditionShipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
HS Code
Coming soon.
Targets
Mechanism
Cell study
Animal study
Clinical study

1: Taylor-Cousar JL, Mall MA, Ramsey BW, McKone EF, Tullis E, Marigowda G, McKee
CM, Waltz D, Moskowitz SM, Savage J, Xuan F, Rowe SM. Clinical development of
triple-combination CFTR modulators for cystic fibrosis patients with one or two
F508del alleles. ERJ Open Res. 2019 Jun 17;5(2). pii: 00082-2019. doi:
10.1183/23120541.00082-2019. eCollection 2019 Apr. PubMed PMID: 31218221; PubMed
Central PMCID: PMC6571452.

2: Keating D, Marigowda G, Burr L, Daines C, Mall MA, McKone EF, Ramsey BW, Rowe
SM, Sass LA, Tullis E, McKee CM, Moskowitz SM, Robertson S, Savage J, Simard C,
Van Goor F, Waltz D, Xuan F, Young T, Taylor-Cousar JL; VX16-445-001 Study Group.
VX-445-Tezacaftor-Ivacaftor in Patients with Cystic Fibrosis and One or Two
Phe508del Alleles. N Engl J Med. 2018 Oct 25;379(17):1612-1620. doi:
10.1056/NEJMoa1807120. Epub 2018 Oct 18. PubMed PMID: 30334692; PubMed Central
PMCID: PMC6289290.


Chemical Structure

2052801 - Elexacaftor | CAS 2216712-66-0

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