OTS964 - 10mM in DMSO , CAS No.1338545-07-5

CAS: 1338545-07-5 Cat. No.: O421282 Molecular Weight: 428.97
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
SCHEMBL15092325 | OTS964 hydrochloride | AKOS030526420 | C72349 | 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride | 1338545-07-5 | OTS964 | OTS-964 | (R)-9-(4-(1-(dimethylamino)propan-2-yl)ph
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
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Qty
1ml
O421282-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

OTS964 OTS964 is a potent TOPK inhibitor with high affinity and selectivity and IC50 value is 28 nM. OTS964 is also a potent inhibitor of the cyclin-dependent kinase CDK11 with Kd of 40 nM. OTS964 treatment activates autophagy in glioma cells and induces apoptosis of human lung cancer cells in mouse xenografts.

Targets

TOPK (Cell-free assay); CDK11B (Cell-free assay) 28 nM; 40 nM(Kd)

In vitro

OTS964 inhibits the growth of TOPK-positive cells with low IC50 values [A549 (31 nM), LU-99 (7.6 nM), DU4475 (53 nM), MDAMB- 231 (73 nM), T47D (72 nM), Daudi (25 nM), UM-UC-3 (32 nM), HCT-116 (33 nM),MKN1 (38 nM), MKN45 (39 nM), HepG2 (19 nM), MIAPaca-2 (30 nM), and 22Rv1 (50 nM)], whereas its growth inhibitory effect against TOPK-negative HT29 cancer cells is significantly weaker, with IC50 of 290nM. Although OTS964 reveals some suppressive effect on Src family kinases, the response to OTS964 in these cancer cells is not correlated with the expression of Src family kinases c-Src, Fyn, and Lyn, supporting the TOPK-dependent growth inhibitory effects of OTS964. Time lapse imaging in T47D cells shows that treatment with OTS964 induces cytokinesis defects followed by apoptosis.

In vivo

Although administration of the free compound induces hematopoietic adverse reactions (leukocytopenia associated with thrombocytosis), the drug delivered in a liposomal formulation effectively causes complete regression of transplanted tumors without showing any adverse reactions in mice. Inhibition of TOPK activity with the liposomal OTS964 suppresses tumor growth through induction of cytokinesis defects and subsequent apoptosis. Although oral administration of OTS964 causes some hematopoietic toxicity, this is a transient effect. The spontaneous recovery from leukocytopenia is occured and the anticancer effectiveness of the oral drug is similar to that of the liposomal formulation, oral administration of the drug may prove to be more practical.

Cell Research(from reference)

Cell lines:A549 cells, LU-99 cells, DU4475 cells, MDA-MB-231 cells, T47D cells, Daudi cells, UM-UC-3 cells, HCT-116 cells, MKN1 cells, MKN45 cells, HepG2 cells, MIAPaca-2 cells, 22Rv1 cells and HT29 cells 

Incubation Time:72 h 

Specifications

Synonyms
SCHEMBL15092325 | OTS964 hydrochloride | AKOS030526420 | C72349 | 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2, 3-c]quinolin-4-one;hydrochloride | 1338545-07-5 | OTS964 | OTS-964 | (R)-9-(4-(1-(dimethylamino)propan-2-yl)ph
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
OTS964 is a potent TOPK inhibitor with high affinity and selectivity and IC50 value is 28 nM. OTS964 is also a potent inhibitor of the cyclin-dependent kinase CDK11 with Kd of 40 nM. OTS964 treatment activates autophagy in glioma cells and induces apoptos
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ACTIVATOR
Product Properties
ALogP5.497
hba_count1
HBD Count2
Rotatable Bond4
Names and Identifiers
Canonical SmilesCC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)C(C)CN(C)C)O.Cl
IUPAC Name9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
InChIKeyYHPWOYBWUWSJDW-UQKRIMTDSA-N
INCHI1S/C23H24N2O2S.ClH/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20;/h5-11,14,26H,12H2,1-4H3,(H,24,27);1H/t14-;/m0./s1
Isomeric SMILES CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)[C@@H](C)CN(C)C)O.Cl
Alternate CAS 1338542-14-5(free basis)
Molecular Weight 428.97
Reaxy-Rn 50647440
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50647440&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassQuinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentThienoquinolines
Alternative Parents Phenylquinolines  Hydroquinolones  Hydroxyquinolines  Aromatic monoterpenoids  Hydroquinolines  Phenylpropylamines  Thienopyridines  Aralkylamines  1-hydroxy-2-unsubstituted benzenoids  Pyridinones  Thiophenes  Heteroaromatic compounds  Lactams  Trialkylamines  Azacyclic compounds  Organooxygen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylquinoline - Thienoquinoline - Dihydroquinolone - Hydroxyquinoline - P-cymene - Aromatic monoterpenoid - Phenylpropylamine - Dihydroquinoline - Monoterpenoid - Thienopyridine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Pyridinone - Phenol - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thienoquinolines. These are heterocyclic compounds containing a thiophene ring fused to a quinoline. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility85
DMSO(mM) Max Solubility198.1490547
Water(mg / mL) Max Solubility<1
Molecular Weight429.000 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass428.133 Da
Monoisotopic Mass428.133 Da
Topological Polar Surface Area80.800 Ų
Heavy Atom Count29
Formal Charge0
Complexity563.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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