Structure of Vercirnon
CAS No.: 698394-73-9
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
Vercirnon is a highly potent antagonist of CCR9, which has been implicated in the aetiology of inflammatory bowel diseases such as Crohn's disease.
Synonyms: GSK-1605786; CCX282-B; CCX-282
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CAS No. : | 698394-73-9 |
Formula : | C22H21ClN2O4S |
M.W : | 444.93 |
SMILES Code : | O=S(C1=CC=C(C(C)(C)C)C=C1)(NC2=CC=C(Cl)C=C2C(C3=CC=[N+]([O-])C=C3)=O)=O |
Synonyms : |
GSK-1605786; CCX282-B; CCX-282
|
MDL No. : | MFCD28137610 |
InChI Key : | JRWROCIMSDXGOZ-UHFFFAOYSA-N |
Pubchem ID : | 10343454 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Description |
Vercirnon inhibits CCR9-mediated Ca2+ mobilization and chemotaxis on Molt-4 cells with IC50 values of 5.4 and 3.4 nM, respectively. It blocks CCR9-mediated calcium mobilization and chemotaxis in Molt-4 cells with IC50 values of 5.4 and 3.4 nM, respectively, and showcases selectivity for CCR9 over other CCR and CX3CR receptors, with IC50s greater than 10 µM for all. It equally inhibits CCL25-directed chemotaxis of CCR9's splice forms (CCR9A and CCR9B) with IC50s of 2.8 and 2.6 nM, respectively[1].
|
In Vitro:
Cell Line
|
Concentration | Treated Time | Description | References |
HEK293T cells | 2.35 nM | Assess the binding affinity of 3a to CCR9 in a cellular environment, confirming that 3a can pass the cell membrane and bind to CCR9 | PMC9306553 | |
HEK293T cells | 5.9 nM | Evaluate the binding affinity of fluorescent probe 3a to CCR9, results showed high affinity of 3a | PMC9306553 | |
SACC-LM cells | 10 nM | 48 h | Vercirnon significantly reduced the phosphorylation level of AKT induced by CCL25 and reversed the promoting effects of CCL25 on proliferation, anti-apoptosis, migration, and invasion of SACC-LM cells. | PMC9394511 |
In Vivo:
Species
|
Animal Model
|
Administration | Dosage | Frequency | Description | References |
Mice | Mdr1a−/− mouse model of ulcerative colitis | Subcutaneous injection | 50 mg/kg | Twice daily | Evaluate the therapeutic effect of CCR9 antagonists in the ulcerative colitis model. Results showed that both CCX025 and CCX282-B significantly alleviated colitis symptoms, including weight loss, diarrhea, inflammation, colon shortening, and mortality | PMC4592714 |
BALB/c nude mice | SACC-LM cell xenograft model | Peritumoral injection | 50 mg/kg | Injected on day 7 and day 14, lasting for 28 days | Vercirnon significantly inhibited CCL25-promoted tumor growth and metastasis, reduced tumor cell proliferation, and increased apoptosis. | PMC9394511 |
Clinical Trial:
NCT Number | Conditions | Phases | Recruitment | Completion Date | Locations |
NCT00102921 | Crohn Disease | PHASE2 | COMPLETED | 2025-12-05 | Cedars-Sinai Medical Center, L... More >>os Angeles, California, 90048, United States|Rocky Mountain Clincal Research, Golden, Colorado, 80104, United States|Arapahoe Gastroenterology, Littleton, Colorado, 80120, United States|Atlanta Gastroenterology Associates, Atlanta, Georgia, 30342, United States|University of Chicago, Chicago, Illinois, 60637, United States|Mayo Clinic Rochester, Rochester, Minnesota, United States|Comprehensive Clinical Research, Berlin, New Jersey, 08009, United States|Long Island Clinical Research Associates, LLP, Great Neck, New York, 11021, United States|Wake Forest Research, Raleigh, North Carolina, 27612, United States|University Hospitals of Cleveland, Div of Gastroenterology, Cleveland, Ohio, 44106-5066, United States|Digestive Disease Clinic, Jackson, Tennessee, 38305, United States|Nashville Medical Research Institute, Nashville, Tennessee, 37205, United States|Center for Colon Rectal Disease, Salt Lake City, Utah, 84124, United States|University of Virginia Health System, Digestive Health Center of Excellence, Charlottesville, Virginia, 22908, United States Less << |
NCT00306215 | Crohn's Disease | PHASE2 | COMPLETED | 2025-06-09 | Bankstown - Lidcombe Hospital,... More >> Bankstown, New South Wales, 2200, Australia|Royal Brisbane and Womens Hospital, Herston, Queensland, 4029, Australia|Royal Adelaide Hospital, Adelaide, South Australia, Australia|Flinders Medical Centre, Bedford Park, South Australia, 5042, Australia|Launceston General Hospital, Launceston, Tasmania, Australia|Box Hill Hospital, Box Hill, Victoria, 3128, Australia|St Vincents Hospital, Fitzroy, Victoria, Australia|Bayside Gastroenterology, Frankston, Victoria, Australia|Royal Melbourne Hospital, Parkville, Victoria, 3050, Australia|The Alfred Hospital, Prahran, Victoria, 3181, Australia|Fremantle Hospital, Fremantle, Western Australia, 6160, Australia|Universit?tsklinik für Innere Medizin, Innsbruck, Austria|A.?. Krankenhaus der Elisabethinen Linz, Linz, Austria|Landesklinikum St. Poelten, Poelten, Austria|Krankenanstalt Rudolfstiftung, Wien, Austria|Universit?tsklinik für Innere Medizin III, Wien, Austria|UZ Gent, Gent, Belgium|UZ Gasthuisberg, Leuven, Belgium|Unigastro, Campinas, 13070-040, Brazil|Centro Petropolitano de Reumatologia e Fisioterapia, Centro Petrópolis, 25620-040, Brazil|Hospital das Clínicas de Curitiba UFPR, Curitiba, 80060-900, Brazil|Instituto Goiano de Gastro, Goiania, 74535-170, Brazil|Hospital Geral de Goiania, Goiania, 74043-110, Brazil|Hospital de Clínicas de Porto Alegre, Porto Alegre, 90035-003, Brazil|Hospital S?o Lucas PUC-RS, Porto Alegre, 90610-000, Brazil|Hospital Universitário Clementino Fraga Filho, Rio de Janeiro, 21941-590, Brazil|Santo André Diagnósticos e tratamentoLtda., Santo André, 09090-780, Brazil|Irmandade da Santa Casa de Misericórdia de Santos, Santos, 11075-900, Brazil|Irmandade da Santa Casa de Misericórdia de S?o Paulo, Sao Paulo, 01221-020, Brazil|Hospital das Clínicas de S?o Paulo, S?o Paulo, 01246-000, Brazil|Hospital Israelita Albert Einstein, S?o Paulo, 05651-901, Brazil|4 MHAT, 38 "Makedonia" 1000, Sofia, Bulgaria|Military Medical Academy, Sofia, Bulgaria|UMHAT "Alexandrovska", Sofia, Bulgaria|UMHAT Queen Joanna, Sofia, Bulgaria|UMHAT" St. Ivan Rilsky", Sofia, Bulgaria|V City Hospital, Sofia, Bulgaria|UMHAT "St. Marina", Varna, Bulgaria|Health Science Centre, Calgary, Alberta, T2N 4N1, Canada|Lair Centre, Vancouver, British Columbia, V5Z 1H1, Canada|DHC Research, Richmond Hill, Ontario, Canada|Mt. Sinai Hospital, Toronto, Ontario, Canada|Centre Hospitalier--Hotel-Dieu de Levis, Levis, Quebec, G6V 3Z1, Canada|Hopital Maisonneuve-Rosemont, Montreal, Quebec, Canada|Jewish General Hospital, Montreal, Quebec, Canada|CHAUQ-Hopital St-Sacrement, Quebec, Canada|Hepato-Gastroenterologie, Edvarda Benese 1549, Hradec Kralove, 500 12, Czechia|II.Interni klinika, Endoskopie, Olomouc, 775 20, Czechia|General University Hospital Prague, Prague, Czechia|Medic Kral ltd., Prague, Czechia|Fakultni nemocnice, Praha, 100 10, Czechia|Klinika hepatogastroenterologieIKEM, Praha, 140 21, Czechia|Regional Hospital Pribram, Pribram, Czechia|Regional Hospital Tabor, Tabor, Czechia|Private Gastroenterology Centre, ?eské Budejovice, Czechia|Medical Department V ?rhus University Hospital, Arhus C, 8000, Denmark|Herlev Hospital Gastroenterologisk department, Herlev, 2730, Denmark|Hvidovre Hospital, Hvidovre, Denmark|Medical department S Odense University hospital, Odense, 5000, Denmark|CHU Amiens - H?pital Nord, Amiens, France|Service d'Hépato-Gastroentérologie et de Nutrition Clinique, Nice, France|Hopital du Haut-Lévêque, Pessac, France|H?pital Charles Nicolle, Rouen, France|Service de Gastro-Enterologie et Nutrition, Toulouse, France|Charité Campus Mitte, Universit?tsmedizin Berlin, Berlin, Germany|Medizinische Klinik m.S. Hepatologie, Gastroenterologie, Endokrinologie und Stoffwechsel, Berlin, Germany|Fach?rztin für Innere Medizin, Hamburg, Germany|Klinikum der Christian-Albrechts-Universit?t zu Kiel, Kiel, Germany|Universit?tsklinikum Magdeburg A.?.R, Magdeburg, Germany|Gastroenterologische Praxis am Germania-Campus, Münster, Germany|Klinikum der Universit?t Regensburg, Regensburg, Germany|Réthy Pál Kórház, Bekescsaba, Hungary|F?városi ?nkormányzat Bajcsy-Zsilinszky Kórház, Budapest, Hungary|Debreceni Egyetem OEC, Debrecen, Hungary|Vaszary Kolos Kórház, Esztergom, Hungary|Petz Aladár Megyei Oktató Kórház, Gy?r, Hungary|BAZ Megyei Kórház, Miskolc, Hungary|Soroka Medical Center, Beer-Sheva, Israel|Bnai Zion MC, Haifa, 31048, Israel|Rambam Medical Center,, Haifa, Israel|Hadassah Ein-Karem Medical Center, Jerusalem, 91120, Israel|Meir Hospital, Kfar-Saba, Israel|Rabin Medical Center, Petach Tikva, 49100, Israel|Kaplan Medical Center, Rechovot, 76100, Israel|The Tel-Aviv Sourasky Medical Center, Tel Aviv, 64239, Israel|Assaf Harofeh Medical Center, Trzifin, Israel|Ringweg Randenbroek 110, Amersfoort, Netherlands|Ikazia Ziekenhuis, Rotterdam, 3083AN, Netherlands|Isala Klinieken Locatie Sophia Afd. Interne Geneeskunde, Zwolle, 8025 AB, Netherlands|ZOZ MSWiA Oddzia? Chorób Wewn?trznych, Bialystok, Poland|10 Wojskowy Szpital Klinicznym, Oddzial Kliniczny Gasteroenterologii, Bydgoszcz, Poland|SPZOZ Wojewodzki Szpital, Bydgoszcz, Poland|Klinika Chorob Wewnetrznych I Gastroenterologii, Krakow, Poland|Samodzielny Publiczny Szpital Kliniczny Nr 4, Lublin, Poland|SPZOZ Szpital Wojewódzki w Opolu, Opole, Poland|SOPMED Niepubliczny Zak?ad Opieki Zdrowotnej, Sopot, Poland|Klinika Gastroenterologii i Chorób Wewn?trznych Samodzielny Publiczny Szpital Kliniczny nr 1 im. T. Soko?owskiego Pomorskiej Akademii Medycznej ul.Unii Lubelskiej 1, Szczecin, 71-252, Poland|Wojskowy Insytutu Medyczny, Warsaw, Poland|NZOZ Vivamed Zespó? Lekarzy Specjalistów ul. Trocka 10A, Warszawa, 03-563, Poland|CSK MSWiA, Klinika Gastroenterologii, Warszawa, Poland|Klinika Gastroenterologii i Hepatologii, Akademii Medycznej, Wroclaw, Poland|Panorama Medi Clinic, Cape Town, 7500, South Africa|Louis Leipoldt Gastroenterology Centre, Louis Leipoldt Medical Centre, Cape Town, 7530, South Africa|GastroEnterology Unit, Groote Schuur Hospital, Cape Town, 7925, South Africa|Quatro Clinical Trial Institute, Cape Town, South Africa|427 Ontdekkers Road, Florida Park, Johannesburg, South Africa|Medicinkliniken, SU/?stra sjukhuset, G?teborg, Sweden|Universitetssjukhuset, Lund, Sweden|Medicinmottagningen, S?dersjukhuset, Stockholm, Sweden|Sophiahemmet, Stockholm, Sweden|Centre for Gastroenterology Royal Free Hospital, London, NW3 2PF, United Kingdom|Dept of Gastroenterology, John Radcliffe Hospital, Oxford, United Kingdom Less << |
Bio Calculators | ||||
Preparing Stock Solutions | ![]() |
1mg | 5mg | 10mg |
1 mM 5 mM 10 mM |
2.25mL 0.45mL 0.22mL |
11.24mL 2.25mL 1.12mL |
22.48mL 4.50mL 2.25mL |
Tags: Vercirnon | GSK-1605786 | CCX282-B | Traficet-EN | GSK1605786 | GSK 1605786 | CCR | CC chemokine receptor | oral | bioavailable | inflammatory | bowel | disease | chemotaxis | chemokine | 698394-73-9
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