Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H28Cl2N4O2 |
| Molecular Weight | 487.421 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)C[C@H]1CC[C@@H](CC1)NC2=C(C=NC3=C2N=C(C=C3)C4=CC(Cl)=C(O)C(Cl)=C4)C(C)=O
InChI
InChIKey=DKZYXHCYPUVGAF-JCNLHEQBSA-N
InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-
| Molecular Formula | C25H28Cl2N4O2 |
| Molecular Weight | 487.421 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:17:41 UTC 2023
by
admin
on
Sat Dec 16 10:17:41 UTC 2023
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| Record UNII |
VY778IXU5T
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Common Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C61074
Created by
admin on Sat Dec 16 10:17:41 UTC 2023 , Edited by admin on Sat Dec 16 10:17:41 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1431697-89-0
Created by
admin on Sat Dec 16 10:17:41 UTC 2023 , Edited by admin on Sat Dec 16 10:17:41 UTC 2023
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PRIMARY | |||
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DTXSID90856134
Created by
admin on Sat Dec 16 10:17:41 UTC 2023 , Edited by admin on Sat Dec 16 10:17:41 UTC 2023
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PRIMARY | |||
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C111569
Created by
admin on Sat Dec 16 10:17:41 UTC 2023 , Edited by admin on Sat Dec 16 10:17:41 UTC 2023
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PRIMARY | |||
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OTS-167
Created by
admin on Sat Dec 16 10:17:41 UTC 2023 , Edited by admin on Sat Dec 16 10:17:41 UTC 2023
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PRIMARY | Description: Maternal embryonic leucine zipper kinase (MELK) is a serine/threonine kinase that regulates signaling central to cell cycling, stem cell renewal, apoptosis, and other cellular processes. MELK is overexpressed in some forms of cancer, particularly those with aggressive undifferentiated tumors. OTSSP167 is a potent inhibitor of MELK (IC50 = 0.41 nM). It suppresses the growth of diverse cancer cell lines at low nanomolar concentrations.5 It also blocks the phosphorylation of MELK-specific substrates and reduces the ability of MCF-7 breast cancer cells to invade and form spheroids in Matrigel.5 OTSSP167 is also effective in vivo when delivered either orally or intravenously, suppressing the growth of xenograft tumors in mice. | ||
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VY778IXU5T
Created by
admin on Sat Dec 16 10:17:41 UTC 2023 , Edited by admin on Sat Dec 16 10:17:41 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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TARGET -> INHIBITOR | |||
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
OTSSP167 is an inhibitor of maternal embryonic leucine zipper kinase (MELK) with IC50 value of 0.41nM. MELK is a member of the AMPK serine/threonine kinase family and is involved in the mammalian embryonic development. It plays roles in cancer cell growth and formation or maintenance of cancer stem cells. OTSSP167 is a small-molecule inhibitor and can inhibit MELKs activity effectively and selectively. OTSSP167 inhibits cell proliferation of a variety of cancer cell lines including A549, T47D, DU4475 and 22Rv1. The IC50 values are 6.7nM, 4.3nM, 2.3nM and 6nM, respectively. In mice bearing MDA-MB-231 xenograft, administration of OTSSP167 inhibits 70% tumor growth at dose of 20 mg/kg. Besides that, OTSSP167 is also found to have effects on PSMA1 and DBNL which are the novel substrates of MELK. It inhibits the phosphorylation of PSMA1 and DBNL causes the subsequent suppression of mammosphere formation.
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