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OTS-964

CAT: 0013-GTR19163816-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163816-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OTS-964 is a dimethylated derivative of OTS514 and potent, selective TOPK inhibitor with IC50 of 28 nM, exhibits excellent in vivo efficacy with liposomal formulation; inhibits the growth of TOPK-positive cells with low IC50 values (A549 IC50=31 nM), decreases autophosphorylation of TOPK (Thr9), as well as phosphorylation of histone H3 (Ser10), in both T47D and LU-99 cells; the liposomal OTS964 causes complete regression of tumors without any detectable toxicity in the xenograft models.
CAS Number
1338545-07-5
Product Name Alternative
OTS964
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CC1=CC (=C (C2=C1NC (=O) C3=C2C=CS3) C4=CC=C (C=C4) C (C) CN (C) C) O.Cl
Molecular Formula
C23H25ClN2O2S
Molecular Weight
428.9748
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Thieno[2,3-c]quinolin-4 (5H) -one, 9-[4-[ (1R) -2- (dimethylamino) -1-methylethyl]phenyl]-8-hydroxy-6-methyl-, hydrochloride (1:1)

Chemical Information

OTS964 hydrochloride
CAS Number1338545-07-5
PubChem CID89675898
IUPAC Name9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
Molecular FormulaC23H25ClN2O2S
Molecular Weight429.0
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity563
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
2D structure of OTS964 hydrochloride
CAS: 1338545-07-5
CID: 89675898
Formula: C23H25ClN2O2S
MW: 429.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass428.1325269
Monoisotopic Mass428.1325269
Topological Polar Surface Area80.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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