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Chemical Structure| 1346242-81-6 Chemical Structure| 1346242-81-6

Structure of Erdafitinib
CAS No.: 1346242-81-6

Chemical Structure| 1346242-81-6

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Erdafitinib inhibits FGFR1 (pIC50 = 9), FGFR2 (pIC50 = 8.5), FGFR3 (pIC50 = 8.5) and FGFR4 (pIC50 = 8.25) and it is a quinoxaline derivative compound.

Synonyms: JNJ-42756493

4.5 *For Research Use Only !

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Product Citations

Product Citations

Silva Franco, Lucas ; Rodrigues, Daniel Alencar ; Baumart, Gabriela Joras ; de Jesus, Bárbara da Silva Mascarenhas ; Gomes, Flávia Carvalho Alcantara ; Lima, Lídia Moreira , et al.

Abstract: ROCK kinases are key players in neurodegenerative diseases such as Alzheimer’s disease (AD), making them attractive therapeutic targets. In this study, we developed a pharmacophoric map of ROCK inhibitors and highlighted the key affinity sites in ROCK1/2 through molecular modeling. Virtual screening led to the identification of six approved drugs as ROCK inhibitors: ruxolitinib (36), baricitinib (37), ponatinib (38), tivozanib (39), nialamide (40), and tucatinib (41). Ruxolitinib (36) (hROCK1 IC50 = 0.025 μM; hROCK2 IC50 = 0.007 μM) and baricitinib (37) (hROCK1 IC50 = 0.019 μM; hROCK2 IC50 = 0.011 μM) showed the highest potency, while tivozanib (39) displayed 15-fold selectivity for ROCK2 over ROCK1. Molecular dynamics revealed that ruxolitinib (36) forms stable bidentate hydrogen bonds with the ROCK hinge region and has selectivity across the AGC kinase family. Biological assays confirmed ruxolitinib’s (36) safety in neuronal and glial cells and its ability to reduce C3 immunolabeling, a glial inflammation marker, in LPS-treated astrocytes. These findings not only highlight ruxolitinib (36) as a promising candidate for AD but also provide a structural basis for designing novel dual JAK-ROCK inhibitors and pave the way for further in vitro and in vivo studies. Moreover, the validated pharmacophoric map for ROCK inhibition highlights the identification of an affinity pocket that can be useful for the design of new ROCK inhibitors.

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Product Details of Erdafitinib

CAS No. :1346242-81-6
Formula : C25H30N6O2
M.W : 446.54
SMILES Code : CN1N=CC(C2=NC3=CC(N(C4=CC(OC)=CC(OC)=C4)CCNC(C)C)=CC=C3N=C2)=C1
Synonyms :
JNJ-42756493
MDL No. :MFCD28502040
InChI Key :OLAHOMJCDNXHFI-UHFFFAOYSA-N
Pubchem ID :67462786

Safety of Erdafitinib

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Related Pathways of Erdafitinib

RTK

Isoform Comparison

Biological Activity

Target
  • FGFR

In Vitro:

Cell Line
Concentration Treated Time Description References
KB-C2 cells, HEK293/ABCB1 cells 0.06µM, 0.2µM, 0.6µM 72 h Erdafitinib significantly enhanced the accumulation of drugs and inhibited the efflux from ABCB1 overexpressing cells, reversing MDR. PMC7330633

Clinical Trial:

NCT Number Conditions Phases Recruitment Completion Date Locations
NCT06328491 Ovarian Cancer|Steroid Cell Tu... More >>mor, Malignant Less << COMPLETED 2022-08-22 Princess Margaret Cancer Centr... More >>e, Toronto, Ontario, M5G 2M9, Canada Less <<
NCT02699606 Neoplasm PHASE2 COMPLETED 2024-03-15 Beijing, China|Harbin, China|N... More >>anjing, China|Seoul, Korea, Republic of|Kaohsiung, Taiwan|Tainan, Taiwan Less <<
NCT03066687 Healthy PHASE1 COMPLETED 2017-05-12 Celerion, Lincoln, Nebraska, 6... More >>8502, United States Less <<
NCT03825484 Advanced Cancers and FGFR Gene... More >>tic Alterations Less << APPROVED_FOR_MARKETING - -
NCT04917809 Bladder Cancer|Recurrent Bladd... More >>er Cancer|FGFR3 Gene Mutation Less << PHASE2 RECRUITING 2025-08-25 Memorial Sloan Kettering Baski... More >>ng Ridge (Limited Protocol Activities), Basking Ridge, New Jersey, 07920, United States|Memorial Sloan Kettering Monmouth (Limited Protocol Activities), Middletown, New Jersey, 07748, United States|Memorial Sloan Kettering Bergen (Limited Protocol Activities), Montvale, New Jersey, 07645, United States|Memorial Sloan Kettering Commack (Limited Protocol Activities), Commack, New York, 11725, United States|Memorial Sloan Kettering Westchester (Limited Protocol Activities), Harrison, New York, 10604, United States|Memorial Sloan Kettering Cancer Center (All Protocol Activities), New York, New York, 10065, United States|Memorial Sloan Kettering Nassau (Limited Protocol Activities), Uniondale, New York, 11553, United States Less <<
NCT02692677 Healthy PHASE1 COMPLETED 2025-08-16 Madison, Wisconsin, United Sta... More >>tes Less <<
NCT03587363 Hepatic Impairment PHASE1 TERMINATED 2020-12-22 CRS Clinical Research Services... More >> Kiel GmbH, Kiel, 24105, Germany|APEX GmbH, Munchen, 81241, Germany Less <<
NCT04083976 Advanced Solid Tumor PHASE2 ACTIVE_NOT_RECRUITING 2025-03-31 Arizona Oncology Associates, P... More >>C - HOPE, Tucson, Arizona, 85711, United States|Rocky Mountain Cancer Centers, Colorado Springs, Colorado, 80907, United States|Memorial Cancer Institute, Hollywood, Florida, 33021, United States|Cancer Specialists of North Florida, Jacksonville, Florida, 32256, United States|Emory University, Atlanta, Georgia, 30022, United States|Hawaii Cancer Care, 'Aiea, Hawaii, 96701, United States|Maine Medical Center, Scarborough, Maine, 04074, United States|Dana Farber Cancer Institute, Boston, Massachusetts, 02215, United States|Henry Ford Hospital, Detroit, Michigan, 48202, United States|Hackensack University Medical Center, Hackensack, New Jersey, 07601, United States|Mount Sinai, New York, New York, 10029, United States|Memorial Sloan Kettering Cancer Center, New York, New York, 10128, United States|Levine Cancer Institute, Carolinas HealthCare System, Charlotte, North Carolina, 28204, United States|Oncology Hematology Care, Cincinnati, Ohio, 45242, United States|Nationwide Children's Hospital, Columbus, Ohio, 43205, United States|Thomas Jefferson University, Philadelphia, Pennsylvania, 19107, United States|University of Pittsburgh Medical Center, Pittsburgh, Pennsylvania, 15232, United States|Tennessee Oncology, PLLC, Chattanooga, Tennessee, 37404, United States|Tennessee Oncology, Nashville, Tennessee, 37203, United States|Texas Oncology Baylor Charles A Sammons Cancer Center, Dallas, Texas, 75246, United States|Texas Oncology-Fort Worth Cancer Center, Fort Worth, Texas, 76104, United States|MD Anderson, Houston, Texas, 77030, United States|Oncology Consultants - Texas, Houston, Texas, 77030, United States|Texas Oncology Odessa-West Texas Cancer Center, Odessa, Texas, 79761, United States|Texas Oncology San Antonio Northeast, San Antonio, Texas, 78217, United States|NorthWest Medical Specialties, PLLC, Tacoma, Washington, 98405, United States|Aurora Research Institute, Wauwatosa, Wisconsin, 53226, United States|Hospital Aleman, Buenos Aires, C1118AAT, Argentina|Centro Oncológico Korben, Ciudad Autonoma de Buenos Aires, C1426AGE, Argentina|Instituto Fleni, Ciudad Autonoma de Buenos Aires, C1428AQK, Argentina|CEMIC Saavedra, Ciudad Autonoma de Buenos Aires, C1431FWN, Argentina|Instituto de Investigaciones Metabólicas, Ciudad Autónoma de Buenos Aires, C1012AAR, Argentina|Cemaic Centro Privado de Especialidades Medicas Ambulatorias e Investigacion Clinica, Cordoba, 5000, Argentina|Hospital Italiano de La Plata, La Plata Lpl Lpl, 1900, Argentina|Instituto de Investigaciones Clinicas Mar del Plata, Mar Del Plata, Buenos Aires, B7600FZN, Argentina|Hospital Privado de Comunidad, Mar Del Plata, B7602CBM, Argentina|Hospital Universitario Austral, Pilar, 1629, Argentina|Sanatorio Britanico de Rosario, Rosario, 2000, Argentina|ARS Médica, San Salvador De Jujuy, Y4600AFW, Argentina|Flinders Centre for Innovation in Cancer, Adelaide, 5042, Australia|Chris O'Brien Lifehouse, Camperdown, 2050, Australia|St Vincent s Hospital Sydney, Darlinghurst, 2010, Australia|St Vincents Hospital Melbourne, Fitzroy, 3065, Australia|Fiona Stanley Hospital, Murdoch, 6150, Australia|Intergrated Clinical Oncology Network Pty Ltd (ICON), South Brisbane, 4101, Australia|AZ Klina, Brasschaat, 2930, Belgium|UCL Hopital Saint-Luc, Bruxelles, 1200, Belgium|Grand Hopital de Charleroi, site Notre Dame, Charleroi, 6000, Belgium|CHU UCL Namur - Site Dinant, Dinant, 5500, Belgium|UZA, Edegem, 2650, Belgium|AZ Maria Middelares, Gent, 9000, Belgium|UZ Gent, Gent, 9000, Belgium|Jolimont, Haine-Saint-Paul, La Louviere, 7100, Belgium|CHU UCL Namur - Site Sainte Elisabeth, Namur, 5000, Belgium|Cliniques St Pierre, Ottignies, 1340, Belgium|CHU UCL Namur - Site Godinne, Yvoir, 5530, Belgium|Fundacao Pio XII, Barretos, 14784-400, Brazil|Liga Paranaense de Combate ao Cancer, Curitiba, 81520 060, Brazil|Associacao de Combate ao Cancer em Goias - Hospital de Cancer Araujo Jorge, Goiania, 74605-070, Brazil|Associacao Hospital de Caridade Ijui, Ijui, 98700-000, Brazil|Liga Norte Riograndense Contra O Cancer, Natal, 59075-740, Brazil|Irmandade Santa Casa de Misericordia de Porto Alegre, Porto Alegre, 90050-170, Brazil|Instituto de Medicina Integral Professor Fernando Figueira, Recife, 50070-550, Brazil|Oncoclinicas Rio de Janeiro S A, Rio de Janeiro, 22250 905, Brazil|Instituto D Or de Pesquisa e Ensino IDOR, Rio de Janeiro, 22281 100, Brazil|Hospital Sao Rafael, Salvador, 41253-190, Brazil|Fundacao Faculdade de Medicina - Instituto do Cancer do Estado de Sao Paulo, Sao Paulo, 01246 000, Brazil|Fundacao Antonio Prudente A C Camargo Cancer Center, Sao Paulo, 01509 900, Brazil|Sociedade Beneficente de Senhoras - Hospital Sírio Libanês, S?o Paulo, 01308-901, Brazil|Real e Benemerita Associacao Portuguesa de Beneficencia, S?o Paulo, 01321-001, Brazil|Hospital Das Clinicas Da Faculdade De Medicina Da USP, S?o Paulo, 05410-030, Brazil|GRAACC, S?o Paulo, 4039001, Brazil|Cancer Hospital Chinese Academy of Medical Sciences, Beijing, 100021, China|Beijing Tiantan Hospital, Capital Medical University, Beijing, 100070, China|Peking University Third Hospital, Beijing, 100191, China|Chinese PLA General Hospital, Beijing, 100853, China|Beijing Luhe Hospital, Capital Medical University, Beijing, 101100, China|Jilin cancer hospital, Changchun, 130012, China|The First Hospital of Jilin University, Changchun, 130021, China|West China Hospital,Sichuan University, Chengdu, 610041, China|Chongqing Southwest Hospital, Chongqing, 400038, China|Third Military Medical University Daping Hospital Cancer Center, Chongqing, 400042, China|Sun Yat-Sen Memorial Hospital, Sun Yat-Sen University, Guangzhou, 510289, China|First affiliated Hospital of Zhejiang University, Hangzhou, 310003, China|Zhejiang Cancer Hospital, Hangzhou, 310022, China|Eastern Theater General Hospital, Qinhuai District Medical Area, Nanjing, 210002, China|Ruijin Hospital Shanghai Jiao Tong University, Shanghai, 200025, China|Cancer Hospital, FuDan University, Shanghai, 200032, China|Shanghai Zhongshan Hospital, Shanghai, 200032, China|Huashan Hospital Fudan University, Shanghai, 200040, China|Hopital Saint André, Bordeaux, 33075, France|Centre Francois Baclesse, Caen, 14000, France|Centre Jean Perrin, Clermont Ferrand, 63011, France|Centre Georges Fran?ois Leclerc, Dijon, 21000, France|Centre Oscar Lambret, Lille, 59020, France|Centre Leon Berard, Lyon, 69008, France|Hopital de la Timone, Marseille, 130005, France|Institut Curie, Paris, 75005, France|CHU De Poitiers, Poitiers, 86021, France|Institut de Cancérologie de Lorraine, Vandoeuvre lès Nancy, 54519, France|Institut Gustave Roussy, Villejuif, 94800, France|Charité, Berlin, 10115, Germany|Medizinische Fakultaet Carl Gustav Carus Technische Universitaet Dresden, Dresden, 01307, Germany|Universitaetsklinikum Essen, Essen, 45147, Germany|Universitaetsklinikum Frankfurt, Frankfurt, 60385, Germany|Asklepios Klinik Altona, Hamburg, 22763, Germany|Universitaetsklinikum Heidelberg, Heidelberg, 69120, Germany|Universitaetsklinikum Koeln, K?ln, 50937, Germany|Universitaetsklinikum Leipzig, Leipzig, 04103, Germany|Universit?tsmedizin der Johannes Gutenberg-Universit?t Mainz, Mainz, 55131, Germany|Klinikum rechts der Isar der TU Munchen, München, 81675, Germany|Universitatsklinikum Tubingen, Tübingen, 72076, Germany|Istituto Ortopedico Rizzoli, Bologna, 40136, Italy|ASST Grande Ospedale Metropolitano Niguarda, Milano, 20162, Italy|ASST di Monza, Monza, 20900, Italy|Azienda Ospedaliera Univ.- Università Degli studi della Campania - Luigi Vanvitelli, Napoli, 80138, Italy|Fondazione G Pascale Istituto Nazionale Tumori IRCCS, Napoli, 80138, Italy|Ospedale S. Maria Della Misericordia, Perugia, 06132, Italy|Ospedale Santa Chiara AO Universitaria Pisana, Pisa, 56126, Italy|Azienda Ospedaliera S. Maria Terni, Terni, 5100, Italy|Ospedale Borgo Roma, Verona, 37134, Italy|National Cancer Center Hospital, Chuo Ku, 104 0045, Japan|Hiroshima University Hospital, Hiroshima shi, 734 8551, Japan|National Cancer Center Hospital East, Kashiwa, 277 8577, Japan|National Hospital Organization Shikoku Cancer Center, Matsuyama, 791-0280, Japan|Fujita Health University Hospital, Toyoake, 470-1192, Japan|Severance Hospital Yonsei University Health System, Seoul, 03722, Korea, Republic of|Asan Medical Center, Seoul, 05505, Korea, Republic of|Samsung Medical Center, Seoul, 06351, Korea, Republic of|The Catholic University of Korea Seoul St Marys Hospital, Seoul, 06591, Korea, Republic of|Seoul National University Hospital, Seoul, 3080, Korea, Republic of|Centrum Onkologii im. Prof. F. Lukaszczyka w Bydgoszczy, Bydgoszcz, 85-796, Poland|Przychodnia Lekarska KOMED Roman Karaszewski, Konin, 62-500, Poland|Samodzielny Publiczny Zaklad Opieki Zdrowotnej Szpital Uniwersytecki w Krakowie, Krakow, 31-501, Poland|Wojewodzkie Wielospecjalistyczne Centrum Onkologii i Traumatologii im M Kopernika w Lodzi, Lodz, 93 513, Poland|Centrum Medyczne Pratia Poznan, Skorzewo, 60-185, Poland|Instytut Matki i Dziecka, Warszawa, 01-211, Poland|Centralny Szpital Kliniczny MSWiA w Warszawie, Warszawa, 02-507, Poland|Narodowy Instytut Onkologii im Marii Sklodowskiej Curie Panstwowy Instytut Badawczy, Warszawa, 02-781, Poland|Hosp. Univ. Quiron Dexeus, Barcelona, 08028, Spain|Hosp Univ Vall D Hebron, Barcelona, 08035, Spain|Hosp Clinic de Barcelona, Barcelona, 08036, Spain|Hosp. Sant Joan de Deu, Barcelona, 08950, Spain|Inst. Cat. Doncologia-H Duran I Reynals, Hospitalet de Llobregat, Barcelona, 08908, Spain|Hosp. Infantil Univ. Nino Jesus, Madrid, 28009, Spain|Clinica Univ. de Navarra, Madrid, 28027, Spain|Hosp. Univ. Ramon Y Cajal, Madrid, 28034, Spain|Hosp Univ Fund Jimenez Diaz, Madrid, 28040, Spain|Hosp. Univ. 12 de Octubre, Madrid, 28041, Spain|Hosp. Univ. La Paz, Madrid, 28046, Spain|Hosp. Virgen Del Rocio, Sevilla, 41013, Spain|Hosp. Clinico Univ. de Valencia, Valencia, 46010, Spain|Changhua Christian Hospital, Changhua, 50006, Taiwan|E-Da Cancer Hospital, Kaohsiung City, 82445, Taiwan|Kaohsiung Medical University Chung Ho Memorial Hospital, Kaohsiung, 807, Taiwan|Chang Gung Medical Foundation, Kaohsiung, 833, Taiwan|China Medical University Hospital, Taichung, 403, Taiwan|Taichung Veterans General Hospital, Taichung, 40705, Taiwan|Chi Mei Medical Center Yong Kang, Tainan, 710, Taiwan|National Cheng Kung University Hospital, Tainan, 710, Taiwan|Chi Mei Medical Center Liu Ying, Tainan, 736, Taiwan|National Taiwan University Hospital, Taipei, 10002, Taiwan|Taipei Veterans General Hospital, Taipei, 11217, Taiwan|Chang Gung Memorial Hospital Linkou Branch, Taoyuan City, 333, Taiwan|Bristol Royal Hospital for Children, Bristol, BS2 8AE, United Kingdom|Bristol Haematology and Oncology Centre, Bristol, BS2 8ED, United Kingdom|The Christie Nhs Foundation Trust, Manchester, M20 4BX, United Kingdom|Freeman Hospital, Newcastle upon Tyne, NE7 7DN, United Kingdom|Derriford Hospital, Plymouth, PL6 8DH, United Kingdom|The Royal Marsden NHS Trust, Sutton, SM2 5PT, United Kingdom|The Clatterbridge Cancer Centre, Wirral, CH63 4JY, United Kingdom Less <<

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.24mL

0.45mL

0.22mL

11.20mL

2.24mL

1.12mL

22.39mL

4.48mL

2.24mL

References

 

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