Details
Stereochemistry | ACHIRAL |
Molecular Formula | C26H31Cl2N7O3.ClH |
Molecular Weight | 596.936 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCN1CCN(CC1)C2=CC=C(NC3=CC(=NC=N3)N(C)C(=O)NC4=C(Cl)C(OC)=CC(OC)=C4Cl)C=C2
InChI
InChIKey=VBAIJSJSFCXDJB-UHFFFAOYSA-N
InChI=1S/C26H31Cl2N7O3.ClH/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);1H
Molecular Formula | C26H31Cl2N7O3 |
Molecular Weight | 560.475 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/d0b9a6a56ca7fd6ebad617bcda8365a6.htmlCurator's Comment: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/ | DOI: 10.1158/2159-8290.CD-NB2014-057 | http://meetinglibrary.asco.org/content/159420-173
Sources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/d0b9a6a56ca7fd6ebad617bcda8365a6.html
Curator's Comment: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/ | DOI: 10.1158/2159-8290.CD-NB2014-057 | http://meetinglibrary.asco.org/content/159420-173
Infigratinib (BGJ398), a potent, orally bioavailable, small-molecule pan-FGFR kinase inhibitor. FGFR genetic alterations are the most significant predictors for BGJ398 sensitivity. It is currently in phase 2 trials for Cholangiocarcinoma, Glioblastoma and Solid tumors. Detected adverse events were hyperphosphatemia, fatigue, constipation, cough and nausea. Other adverse events were generally mild and included stomatitis, hair loss, decreased appetite, and fatigue.
Originator
Sources: https://adisinsight.springer.com/drugs/800031184
Curator's Comment: # Novartis
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3650 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936542 |
0.9 nM [IC50] | ||
Target ID: CHEMBL4142 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936542 |
1.4 nM [IC50] | ||
Target ID: CHEMBL2742 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936542 |
1.0 nM [IC50] | ||
Target ID: CHEMBL3973 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936542 |
60.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Biophysical characterization of drug-resistant mutants of fibroblast growth factor receptor 1. | 2016 Oct |
|
Evaluation of BGJ398, a Fibroblast Growth Factor Receptor 1-3 Kinase Inhibitor, in Patients With Advanced Solid Tumors Harboring Genetic Alterations in Fibroblast Growth Factor Receptors: Results of a Global Phase I, Dose-Escalation and Dose-Expansion Study. | 2017 Jan 10 |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02160041
1 x 100 mg and 1 x 25 mg capsules once daily for the first 21 days of the 28-day cycle (3 weeks on, 1 week off in a cycle).
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21936542
BGJ398 inhibits the proliferation of the FGFR1-, FGFR2-Q, and FGFR3-dependent BaF3 cells with IC50 of 2.9 μM, 2.0 μM and 2 μM, respectively. BGJ398 interferes with autophosphorylation on specific tyrosine residues including FGFR-WT, FGFR2-WT, FGFR3-K650E, FGFR3-S249C and FGFR4-WT with IC50 of 4.6 nM, 4.9 nM, 5 nM, 5 nM and 168 nM, respectively. BGJ398 suppresses proliferation of the cancer cells with wild-type (WT) FGFR3 overexpression such as RT112, RT4, SW780 and JMSU1 with IC50 of 5 nM, 30 nM, 32 nM and 15 nM, respectively.
Substance Class |
Chemical
Created
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admin
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Edited
Sat Dec 16 06:31:06 GMT 2023
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on
Sat Dec 16 06:31:06 GMT 2023
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Record UNII |
WY8VD4RV77
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Record Status |
Validated (UNII)
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Record Version |
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