Details
Stereochemistry | ACHIRAL |
Molecular Formula | C26H31Cl2N7O3.H2O |
Molecular Weight | 578.491 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.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=HAHRMIYGWQQRHI-UHFFFAOYSA-N
InChI=1S/C26H31Cl2N7O3.H2O/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);1H2
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
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 |
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
by
admin
on
Edited
Sat Dec 16 06:31:06 GMT 2023
by
admin
on
Sat Dec 16 06:31:06 GMT 2023
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Record UNII |
18Y3W0780L
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Record Status |
Validated (UNII)
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Record Version |
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18Y3W0780L
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53244951
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admin on Sat Dec 16 06:31:06 GMT 2023 , Edited by admin on Sat Dec 16 06:31:06 GMT 2023
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