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OTS964

CAT: 0931-T61800-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T61800-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1338542-14-5
Target
Others, Apoptosis, CDK, TOPK
Related Pathways
Apoptosis, MAPK, Others, Cell Cycle/Checkpoint
Bioactivity
OTS964 is a potent, orally active compound that operates as a highly selective inhibitor of TOPK with an IC 50 of 28 nM [1]. Additionally, it demonstrates significant inhibitory action against cyclin-dependent kinase CDK11, specifically binding to CDK11B with a K d of 40 nM [2].
Smiles
OC=1C(=C2C3=C(C(=O)NC2=C(C)C1)SC=C3)C4=CC=C([C@H](CN(C)C)C)C=C4
Molecular Formula
C23H24N2O2S
Molecular Weight
392.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ots964

(RN) 1338540-81-0; TOPK inhibitor

CAS Number1338542-14-5
PubChem CID67448186
IUPAC Name9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
Molecular FormulaC23H24N2O2S
Molecular Weight392.5
XLogP4.7
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
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
InChI
InChI=1S/C23H24N2O2S/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)/t14-/m0/s1
InChIKey
XCFRUAOZMVFDPQ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Ots964
CAS: 1338542-14-5
CID: 67448186
Formula: C23H24N2O2S
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass392.15584919
Monoisotopic Mass392.15584919
Topological Polar Surface Area80.8 Ų
Heavy Atom Count28
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 Count1
Compound Is CanonicalizedYes

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