Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H15N3O2 |
| Molecular Weight | 281.3092 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C1C=C(N=C2N1C=CC3=CC=CC=C23)N4CCOCC4
InChI
InChIKey=BVRDQVRQVGRNHG-UHFFFAOYSA-N
InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
| Molecular Formula | C16H15N3O2 |
| Molecular Weight | 281.3092 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including
https://www.google.com/patents/WO2003024949A1 | https://www.ncbi.nlm.nih.gov/pubmed/15658870
Curator's Comment: description was created based on several sources, including
https://www.google.com/patents/WO2003024949A1 | https://www.ncbi.nlm.nih.gov/pubmed/15658870
COMPOUND401 is the reversible and selective inhibitor of DNA-dependent protein kinase (DNA-PK) and mammalian target of rapamycin (mTOR) (IC50 values are 0.28 and 5.3 μM respectively). COMPOUND401 exhibits much reduced or no activity against 43 other commonly studied kinases, including PI 3-K, ATM, and ATR. Compound401 has been shown to induce apoptosis and inhibit FRAP-dependent growth in TSC1-/- murine embryo fibroblasts.
Approval Year
Sample Use Guides
Rat-1 cells were cultured in serum-free medium for 20 h and then preincubated for 20 min with 0.1% vehicle (dimethyl sulfoxide) or COMPOUND401 (1, 5, 10 mkM). Cells were then stimulated for 10 min with 50 ng/ml PDGF or for 20 min with 10 mkM phenylephrine (PE). Cell lysate protein was analyzed on Western blots probed sequentially with antibodies to S6K1 (P-Thr389 and total), Akt (P-Ser473, P-Thr308, and total), or Erk (P-Thr202/Tyr204 and total).
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:57:33 GMT 2023
by
admin
on
Sat Dec 16 15:57:33 GMT 2023
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| Record UNII |
TN9PWB4UM5
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| Record Status |
Validated (UNII)
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TN9PWB4UM5
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admin on Sat Dec 16 15:57:33 GMT 2023 , Edited by admin on Sat Dec 16 15:57:33 GMT 2023
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