OTS964 (hydrochloride)

CAT: 0804-HY-12467-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-12467-01Size:5 mg

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Description

OTS964 hydrochloride is an orally active, high affinity and selective TOPK (T-lymphokine-activated killer cell-originated protein kinase) inhibitor with an IC50 of 28 nM[1]. OTS964 hydrochloride is also a potent inhibitor of the cyclin-dependent kinase CDK11, which binds to CDK11B with a Kd of 40 nM[2].

CAS Number

1338545-07-5

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Apoptosis; CDK; TOPK

Type

Reference compound

Related Pathways

Apoptosis; Cell Cycle/DNA Damage

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/OTS-964.html

Purity

99.74

Solubility

DMSO : ≥ 83.33 mg/mL|H2O : 2 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

OC1=CC(C)=C2C(C3=C(SC=C3)C(N2)=O)=C1C4=CC=C([C@@H](C)CN(C)C)C=C4.Cl

Molecular Formula

C23H25ClN2O2S

Molecular Weight

428.97

Precautions

H302, H315, H319, H335

References & Citations

[1]Matsuo Y, et al. TOPK inhibitor induces complete tumor regression in xenograft models of human cancer through inhibition ofcytokinesis. Sci Transl Med. 2014 Oct 22;6 (259) :259ra145.|[2]Lin A, et al. Off-target toxicity is a common mechanism of action of cancer drugs undergoing clinical trials. Sci Transl Med. 2019 Sep 11;11 (509) .|[3]Lu H, et al. TOPK inhibits autophagy by phosphorylating ULK1 and promotes glioma resistance to TMZ. Cell Death Dis. 2019 Aug 5;10 (8) :583.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

CDK11

Citation 01

Chemical Information

OTS964 hydrochloride

CAS Number	1338545-07-5
PubChem CID	89675898
IUPAC Name	9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
Molecular Formula	C23H25ClN2O2S
Molecular Weight	429.0
Topological Polar Surface Area	80.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	563

SMILES

CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)[C@@H](C)CN(C)C)O.Cl

InChI

InChI=1S/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

InChIKey

YHPWOYBWUWSJDW-UQKRIMTDSA-N

Chemical Structure

2D Structure

CAS: 1338545-07-5

CID: 89675898

Formula: C23H25ClN2O2S

MW: 429.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	429.0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	428.1325269
Monoisotopic Mass	428.1325269
Topological Polar Surface Area	80.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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