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OTSSP167

CAT: 0804-HY-15512-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15512-01Size:5 mg
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Description
OTSSP167 (OTS167) is a highly potent and ATP-competitive MELK inhibitor with IC50 value of 0.41 nM.
CAS Number
1431697-89-0
Product Name Alternative
OTS167
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MELK
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/OTSSP167.html
Purity
99.70
Solubility
DMSO : 2.5 mg/mL (ultrasonic; warming; adjust pH to 4 with 1M HCl; heat to 60°C)
Smiles
ClC1=CC(C2=CC=C(N=CC(C(C)=O)=C3N[C@H]4CC[C@H](CN(C)C)CC4)C3=N2)=CC(Cl)=C1O
Molecular Formula
C25H28Cl2N4O2
Molecular Weight
487.42
Precautions
H302, H315, H319, H335
References & Citations
[1]Chung S, Suzuki H, Miyamoto T, et al. Development of an orally-administrative MELK-targeting inhibitor that suppresses the growth of various types of human cancer. Oncotarget. 2012 Dec 21.|[2]Ji W, et al. OTSSP167 Abrogates Mitotic Checkpoint through Inhibiting Multiple Mitotic Kinases. PLoS One. 2016 Apr 15;11 (4) :e0153518.|[3]Cho YS, et al. The crystal structure of MPK38 in complex with OTSSP167, an orally administrative MELK selective inhibitor. Biochem Biophys Res Commun. 2014 Apr 25;447 (1) :7-11.|[4]Li S, et al. Maternal embryonic leucine zipper kinase serves as a poor prognosis marker and therapeutic target in gastric cancer. Oncotarget. 2016 Feb 2;7 (5) :6266-80.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Citation 01
Adv Ther (Weinh) . 2025 Oct 24.|Biochem Biophys Res Commun. 2014 Apr 25;447 (1) :7-11. |Blood Cancer J. 2019 Nov 18;9 (12) :87.|Eur J Pharmacol. 2025 Oct 5:1004:178017.|Int J Oncol. 2022 Jul;61 (1) :89.|Mol Cancer. 2014 May 4;13:100.|Oncotarget. 2016 Feb 2;7 (5) :6266-80. |Oncotarget. 2017 Dec 20;9 (2) :2591-2602. |Patent. US20160291017A1.|PLoS One. 2017 Feb 24;12 (2) :e0172832. |Sci Rep. 2017 Feb 14;7:42502.|Clin Cancer Res. 2018 Nov 15;24 (22) :5645-5657. |Elife. 2017 Mar 24;6:e24179.|Elife. 2018 Feb 8;7:e32838. |EMBO Mol Med. 2018 Mar;10 (3) . pii: e8274.|Free Radic Biol Med. 2021 Aug 20:172:312-329.|Gynecol Oncol. 2017 Apr;145 (1) :159-166.|Harvard Medical School LINCS LIBRARY|Int J Mol Sci. 2025 Mar 3;26 (5) :2245.|Nat Cancer. 2024 Aug;5 (8) :1250-1266.|Neuro Oncol. 2020 Jan 11;22 (1) :58-69. |University of Washington. 2025.

Chemical Information

Otssp167

4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichloro-1-cyclohexa-2,5-dienone is a naphthyridine derivative.

CAS Number1431697-89-0
PubChem CID135398499
IUPAC Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
Molecular FormulaC25H28Cl2N4O2
Molecular Weight487.4
XLogP5.6
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity648
SMILES
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl
InChI
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)
InChIKey
DKZYXHCYPUVGAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Otssp167
CAS: 1431697-89-0
CID: 135398499
Formula: C25H28Cl2N4O2
MW: 487.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.4
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass486.1589315
Monoisotopic Mass486.1589315
Topological Polar Surface Area78.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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