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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
Structure of OTS-167

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-

HIDE SMILES / InChI

Approval Year

Name Type Language
OTS-167
Common Name English
ETHANONE, 1-(6-(3,5-DICHLORO-4-HYDROXYPHENYL)-4-((TRANS-4-((DIMETHYLAMINO)METHYL)CYCLOHEXYL)AMINO)-1,5-NAPHTHYRIDIN-3-YL)-
Systematic Name English
OTS167
Code English
MELK INHIBITOR OTS167
Common Name English
OTSSP-167
Code English
OTSSP167
Code English
Classification Tree Code System Code
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
Code System Code Type Description
CAS
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
PRIMARY
EPA CompTox
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
PRIMARY
NCI_THESAURUS
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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MANUFACTURER PRODUCT INFORMATION
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
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.
FDA UNII
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
PRIMARY