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OTSSP167 hydrochloride

CAT: 1568-C04816-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04816-5mgSize:5 mg
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CAS Number
1431698-10-0
Synonyms
OTS167 hydrochloride
Additionnal Information
OTSSP167 (OTS167) hydrochloride is a highly potent and ATP-competitive MELK inhibitor with IC50 value of 0.41 nM.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

OTSSP167 hydrochloride
CAS Number1431698-10-0
PubChem CID135565272
IUPAC Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone;hydrochloride
Molecular FormulaC25H29Cl3N4O2
Molecular Weight523.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity648
SMILES
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl.Cl
InChI
InChI=1S/C25H28Cl2N4O2.ClH/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);1H
InChIKey
XDGWHISAOWEFML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of OTSSP167 hydrochloride
CAS: 1431698-10-0
CID: 135565272
Formula: C25H29Cl3N4O2
MW: 523.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass522.135609
Monoisotopic Mass522.135609
Topological Polar Surface Area78.4 Ų
Heavy Atom Count34
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E8158-5mgOTSSP167 hydrochloride
HY-15512A-01OTSSP167 (hydrochloride)
A22184-100OTSSP167 hydrochloride 100mg
A22184-2OTSSP167 hydrochloride 2mg
A22184-1OTSSP167 hydrochloride 1mg
A22184-50OTSSP167 hydrochloride 50mg
A22184-25OTSSP167 hydrochloride 25mg
A22184-10OTSSP167 hydrochloride 10mg
A22184-5OTSSP167 hydrochloride 5mg
A22184-10mM-DOTSSP167 hydrochloride 10mM * 1mL in DMSO

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