Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H23FN4O2 |
Molecular Weight | 370.4206 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNCCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C
InChI
InChIKey=LIZNIAKSBJKPQC-GDNBJRDFSA-N
InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-
Molecular Formula | C20H23FN4O2 |
Molecular Weight | 370.4206 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/25294592Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22180047 | https://www.ncbi.nlm.nih.gov/pubmed/24306119 | https://www.ncbi.nlm.nih.gov/pubmed/22238213
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25294592
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22180047 | https://www.ncbi.nlm.nih.gov/pubmed/24306119 | https://www.ncbi.nlm.nih.gov/pubmed/22238213
N-Desethyl Sunitinib is a major and pharmacologically active metabolite of sunitinib, which is potent, ATP-competitive VEGFR, PDGFRβ, and KIT inhibitor.
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL279 |
0.02 µM [Ki] | ||
Target ID: CHEMBL1913 |
0.002 nM [Ki] | ||
Target ID: CHEMBL2007 |
0.1 nM [IC50] | ||
Target ID: CHEMBL2034798 |
0.02 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 Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24306119
HaCaT cells (5,000–10,000/well) were seeded in 96-well plates and incubated for 24 h. Sunitinib or SU12662 (N-Desethyl Sunitinib) dissolved in dimethyl sulfoxide (DMSO), with concentrations ranging from 0.5 to 100 μM (6-wells per concentration) were then added and allowed to incubate for another 24 h. After incubation, media was aspirated and replaced with 50 μL of 2 mg/mL of methylthiazolyldiphenyl-tetrazolium bromide (MTT) dye (Duchefa, Haarlem, the Netherlands) in phosphate-buffered saline (PBS) (Bio-Rad, Hercules, USA) and 200 μL of serum-free HEPES-buffered DMEM media. Plates were then incubated in the dark for 2–3 h at 37 °C. Subsequently, medium was then aspirated and the residual dye was re-dissolved in 25 μL of Sorensen’s buffer (0.1 M glycine and 0.1 M NaCl equilibrated to pH 10.5 with 0.1 M NaOH) and 200 μL of DMSO. Plates were read at 570 nm using the Infinite200 (Tecan, Männedorf, Switzerland). Experiment was performed in triplicate for each compound. Cell viability was expressed as a percentage normalised to the vehicle-treated control.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:17:38 GMT 2023
by
admin
on
Sat Dec 16 08:17:38 GMT 2023
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Record UNII |
42LJ35612R
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Record Status |
Validated (UNII)
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Record Version |
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PARENT -> METABOLITE ACTIVE |
MAJOR
FECAL; PLASMA; URINE
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