Elexacaftor | CAS# 2216712-66-0 | CFTR Modulator

MedKoo Cat#: 330203 | Name: Elexacaftor

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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).

Chemical Structure

Elexacaftor

CAS#2216712-66-0

Theoretical Analysis

MedKoo Cat#: 330203

Name: Elexacaftor

CAS#: 2216712-66-0

Chemical Formula: C26H34F3N7O4S

Exact Mass: 597.2345

Molecular Weight: 597.66

Elemental Analysis: C, 52.25; H, 5.73; F, 9.54; N, 16.41; O, 10.71; S, 5.36

Price and Availability

Size	Price	Availability
50mg	USD 650.00	2 Weeks
100mg	USD 1,150.00	2 Weeks
200mg	USD 1,950.00	2 Weeks
500mg	USD 4,150.00	2 Weeks
1g	USD 7,050.00	2 Weeks

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Related CAS #

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Synonym

Elexacaftor, WHO 11180; WHO 11180; WHO11180; VX-445; VX 445; VX445; Trikafta.

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

InChi Key

MVRHVFSOIWFBTE-INIZCTEOSA-N

InChi Code

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

SMILES Code

O=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

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

1: Hoy SM. Elexacaftor/Ivacaftor/Tezacaftor: First Approval. Drugs. 2019 Dec;79(18):2001-2007. doi: 10.1007/s40265-019-01233-7. Review. PubMed PMID: 31784874. 2: Joshi D, Ehrhardt A, Hong JS, Sorscher EJ. Cystic fibrosis precision therapeutics: Emerging considerations. Pediatr Pulmonol. 2019 Nov;54 Suppl 3:S13-S17. doi: 10.1002/ppul.24547. Review. PubMed PMID: 31715091; PubMed Central PMCID: PMC6871648. 3: Middleton PG, Mall MA, Dřevínek P, Lands LC, McKone EF, Polineni D, Ramsey BW, Taylor-Cousar JL, Tullis E, Vermeulen F, Marigowda G, McKee CM, Moskowitz SM, Nair N, Savage J, Simard C, Tian S, Waltz D, Xuan F, Rowe SM, Jain R; VX17-445-102 Study Group. Elexacaftor-Tezacaftor-Ivacaftor for Cystic Fibrosis with a Single Phe508del Allele. N Engl J Med. 2019 Nov 7;381(19):1809-1819. doi: 10.1056/NEJMoa1908639. Epub 2019 Oct 31. PubMed PMID: 31697873. 4: Heijerman HGM, McKone EF, Downey DG, Van Braeckel E, Rowe SM, Tullis E, Mall MA, Welter JJ, Ramsey BW, McKee CM, Marigowda G, Moskowitz SM, Waltz D, Sosnay PR, Simard C, Ahluwalia N, Xuan F, Zhang Y, Taylor-Cousar JL, McCoy KS; VX17-445-103 Trial Group. Efficacy and safety of the elexacaftor plus tezacaftor plus ivacaftor combination regimen in people with cystic fibrosis homozygous for the F508del mutation: a double-blind, randomised, phase 3 trial. Lancet. 2019 Nov 23;394(10212):1940-1948. doi: 10.1016/S0140-6736(19)32597-8. Epub 2019 Oct 31. PubMed PMID: 31679946.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 597.66 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Middleton PG, Mall MA, Dřevínek P, Lands LC, McKone EF, Polineni D, Ramsey BW, Taylor-Cousar JL, Tullis E, Vermeulen F, Marigowda G, McKee CM, Moskowitz SM, Nair N, Savage J, Simard C, Tian S, Waltz D, Xuan F, Rowe SM, Jain R; VX17-445-102 Study Group. Elexacaftor-Tezacaftor-Ivacaftor for Cystic Fibrosis with a Single Phe508del Allele. N Engl J Med. 2019 Nov 7;381(19):1809-1819. doi: 10.1056/NEJMoa1908639. Epub 2019 Oct 31. PMID: 31697873; PMCID: PMC7282384. 2: Hoy SM. Elexacaftor/Ivacaftor/Tezacaftor: First Approval. Drugs. 2019 Dec;79(18):2001-2007. doi: 10.1007/s40265-019-01233-7. PMID: 31784874. 3: Drugs and Lactation Database (LactMed®) [Internet]. Bethesda (MD): National Institute of Child Health and Human Development; 2006–. Elexacaftor, Tezacaftor and Ivacaftor. 2022 Dec 19. PMID: 32352700. 4: Nichols DP, Paynter AC, Heltshe SL, Donaldson SH, Frederick CA, Freedman SD, Gelfond D, Hoffman LR, Kelly A, Narkewicz MR, Pittman JE, Ratjen F, Rosenfeld M, Sagel SD, Schwarzenberg SJ, Singh PK, Solomon GM, Stalvey MS, Clancy JP, Kirby S, Van Dalfsen JM, Kloster MH, Rowe SM; PROMISE Study group. Clinical Effectiveness of Elexacaftor/Tezacaftor/Ivacaftor in People with Cystic Fibrosis: A Clinical Trial. Am J Respir Crit Care Med. 2022 Mar 1;205(5):529-539. doi: 10.1164/rccm.202108-1986OC. PMID: 34784492; PMCID: PMC8906485. 5: Ridley K, Condren M. Elexacaftor-Tezacaftor-Ivacaftor: The First Triple- Combination Cystic Fibrosis Transmembrane Conductance Regulator Modulating Therapy. J Pediatr Pharmacol Ther. 2020;25(3):192-197. doi: 10.5863/1551-6776-25.3.192. PMID: 32265602; PMCID: PMC7134581. 6: Elexacaftor/tezacaftor/ivacaftor for cystic fibrosis. Aust Prescr. 2021 Aug;44(4):137-138. doi: 10.18773/austprescr.2021.031. Epub 2021 Jun 24. PMID: 34421179; PMCID: PMC8377298. 7: Heijerman HGM, McKone EF, Downey DG, Van Braeckel E, Rowe SM, Tullis E, Mall MA, Welter JJ, Ramsey BW, McKee CM, Marigowda G, Moskowitz SM, Waltz D, Sosnay PR, Simard C, Ahluwalia N, Xuan F, Zhang Y, Taylor-Cousar JL, McCoy KS; VX17-445-103 Trial Group. Efficacy and safety of the elexacaftor plus tezacaftor plus ivacaftor combination regimen in people with cystic fibrosis homozygous for the F508del mutation: a double-blind, randomised, phase 3 trial. Lancet. 2019 Nov 23;394(10212):1940-1948. doi: 10.1016/S0140-6736(19)32597-8. Epub 2019 Oct 31. Erratum in: Lancet. 2020 May 30;395(10238):1694. PMID: 31679946; PMCID: PMC7571408. 8: Elexacaftor/tezacaftor/ivacaftor (Trikafta) for cystic fibrosis. Med Lett Drugs Ther. 2020 Jan 13;62(1589):5-7. PMID: 31999662. 9: Zemanick ET, Taylor-Cousar JL, Davies J, Gibson RL, Mall MA, McKone EF, McNally P, Ramsey BW, Rayment JH, Rowe SM, Tullis E, Ahluwalia N, Chu C, Ho T, Moskowitz SM, Noel S, Tian S, Waltz D, Weinstock TG, Xuan F, Wainwright CE, McColley SA. A Phase 3 Open-Label Study of Elexacaftor/Tezacaftor/Ivacaftor in Children 6 through 11 Years of Age with Cystic Fibrosis and at Least One F508del Allele. Am J Respir Crit Care Med. 2021 Jun 15;203(12):1522-1532. doi: 10.1164/rccm.202102-0509OC. PMID: 33734030; PMCID: PMC8483230. 10: Burgel PR, Durieu I, Chiron R, Ramel S, Danner-Boucher I, Prevotat A, Grenet D, Marguet C, Reynaud-Gaubert M, Macey J, Mely L, Fanton A, Quetant S, Lemonnier L, Paillasseur JL, Da Silva J, Martin C; French Cystic Fibrosis Reference Network Study Group. Rapid Improvement after Starting Elexacaftor-Tezacaftor- Ivacaftor in Patients with Cystic Fibrosis and Advanced Pulmonary Disease. Am J Respir Crit Care Med. 2021 Jul 1;204(1):64-73. doi: 10.1164/rccm.202011-4153OC. PMID: 33600738. 11: Griese M, Costa S, Linnemann RW, Mall MA, McKone EF, Polineni D, Quon BS, Ringshausen FC, Taylor-Cousar JL, Withers NJ, Moskowitz SM, Daines CL. Safety and Efficacy of Elexacaftor/Tezacaftor/Ivacaftor for 24 Weeks or Longer in People with Cystic Fibrosis and One or More F508del Alleles: Interim Results of an Open-Label Phase 3 Clinical Trial. Am J Respir Crit Care Med. 2021 Feb 1;203(3):381-385. doi: 10.1164/rccm.202008-3176LE. PMID: 32969708; PMCID: PMC8020728. 12: Kapouni N, Moustaki M, Douros K, Loukou I. Efficacy and Safety of Elexacaftor-Tezacaftor-Ivacaftor in the Treatment of Cystic Fibrosis: A Systematic Review. Children (Basel). 2023 Mar 15;10(3):554. doi: 10.3390/children10030554. PMID: 36980112; PMCID: PMC10047761. 13: Mall MA, Brugha R, Gartner S, Legg J, Moeller A, Mondejar-Lopez P, Prais D, Pressler T, Ratjen F, Reix P, Robinson PD, Selvadurai H, Stehling F, Ahluwalia N, Arteaga-Solis E, Bruinsma BG, Jennings M, Moskowitz SM, Noel S, Tian S, Weinstock TG, Wu P, Wainwright CE, Davies JC. Efficacy and Safety of Elexacaftor/Tezacaftor/Ivacaftor in Children 6 Through 11 Years of Age with Cystic Fibrosis Heterozygous for F508del and a Minimal Function Mutation: A Phase 3b, Randomized, Placebo-controlled Study. Am J Respir Crit Care Med. 2022 Dec 1;206(11):1361-1369. doi: 10.1164/rccm.202202-0392OC. PMID: 35816621; PMCID: PMC9746869. 14: Bacalhau M, Camargo M, Magalhães-Ghiotto GAV, Drumond S, Castelletti CHM, Lopes-Pacheco M. Elexacaftor-Tezacaftor-Ivacaftor: A Life-Changing Triple Combination of CFTR Modulator Drugs for Cystic Fibrosis. Pharmaceuticals (Basel). 2023 Mar 8;16(3):410. doi: 10.3390/ph16030410. PMID: 36986509; PMCID: PMC10053019. 15: Sutharsan S, McKone EF, Downey DG, Duckers J, MacGregor G, Tullis E, Van Braeckel E, Wainwright CE, Watson D, Ahluwalia N, Bruinsma BG, Harris C, Lam AP, Lou Y, Moskowitz SM, Tian S, Yuan J, Waltz D, Mall MA; VX18-445-109 study group. Efficacy and safety of elexacaftor plus tezacaftor plus ivacaftor versus tezacaftor plus ivacaftor in people with cystic fibrosis homozygous for F508del- CFTR: a 24-week, multicentre, randomised, double-blind, active-controlled, phase 3b trial. Lancet Respir Med. 2022 Mar;10(3):267-277. doi: 10.1016/S2213-2600(21)00454-9. Epub 2021 Dec 20. PMID: 34942085. 16: Cimino G, Sorrenti S, Murciano M, Galoppi P, Ascenzioni F, Botta B, Brunelli R; Sapienza University Working Group on Cystic Fibrosis in Pregnancy. Use of elexacaftor/tezacaftor/ivacaftor combination in pregnancy. Arch Gynecol Obstet. 2023 Mar 13. doi: 10.1007/s00404-023-06962-5. Epub ahead of print. PMID: 36907900. 17: Zhang L, Albon D, Jones M, Bruschwein H. Impact of elexacaftor/tezacaftor/ivacaftor on depression and anxiety in cystic fibrosis. Ther Adv Respir Dis. 2022 Jan-Dec;16:17534666221144211. doi: 10.1177/17534666221144211. PMID: 36562554; PMCID: PMC9793010. 18: Ramos KJ, Guimbellot JS, Valapour M, Bartlett LE, Wai TH, Goss CH, Pilewski JM, Faro A, Diamond JM; CFLTC Study Group. Use of elexacaftor/tezacaftor/ivacaftor among cystic fibrosis lung transplant recipients. J Cyst Fibros. 2022 Sep;21(5):745-752. doi: 10.1016/j.jcf.2022.04.009. Epub 2022 Apr 23. PMID: 35474016; PMCID: PMC9509406. 19: Petersen MC, Begnel L, Wallendorf M, Litvin M. Effect of elexacaftor- tezacaftor-ivacaftor on body weight and metabolic parameters in adults with cystic fibrosis. J Cyst Fibros. 2022 Mar;21(2):265-271. doi: 10.1016/j.jcf.2021.11.012. Epub 2021 Dec 1. PMID: 34862121; PMCID: PMC9999463. 20: Balijepally R, Kwong D, Zhu L, Camacho JV, Liu A. Elexacaftor/tezacaftor/ivacaftor outpatient desensitization. Ann Allergy Asthma Immunol. 2022 Jan;128(1):104-105. doi: 10.1016/j.anai.2021.08.010. Epub 2021 Aug 13. PMID: 34391901.