OTSSP167 hydrochloride - ≥99% , CAS No.1431698-10-0

CAS: 1431698-10-0 Cat. No.: O648882 Peso molecular: 523.88 PubChem CID: 135565272

GRADE & PURITY ≥99%

Synonyms

MFCD25562907 | OTSSP167 hydrochloride | AC-36802 | HY-15512A | OTS-167 monohydrochloride | Ethanone, 1-(6-(3,5-dichloro-4-hydroxyphenyl)-4-((trans-4-((dimethylamino)methyl)cyclohexyl)amino)-1,5-naphthyridin-3-yl)-, hydrochloride (1:1) | OTSSP167 (hydrochl

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

OTSSP167 (OTS167) hydrochloride is a highly potent and ATP-competitive MELK inhibitor with IC 50 value of 0.41 nM.

In Vitro

OTSSP167 inhibits the growth of A549 (lung), T47D (breast), DU4475 (breast), 22Rv1 (prostate) and HT1197 (bladder) cancer cells with IC 50 values of 6.7, 4.3, 2.3, 6.0 and 97 nM, respectively. OTSSP167 can abrogate the mitotic checkpoint, disrupt MCC and MCC-APC/C interaction in MCF7 cells. OTSSP167 causes GFP-MELK localization to cell cortex in prometaphase cells. OTSSP167 is a MELK selective inhibitor, exhibits a strong in vitro activity, conferring an IC 50 of 0.41 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

OTSSP167 (20 mg/kg, i.v.) results in tumor growth inhibition (TGI) of 73% in xenograft mouse model; OTSSP167 (1, 5, and 10 mg/kg, p.o.) reveals TGI of 51, 91, and 108%, respectively. OTSSP167 (20 mg/kg, p.o.) shows no tumor growth suppressive effect on PC-14 xenografts . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 0.41 nM (MELK)

Specifications

Sinónimos

MFCD25562907 | OTSSP167 hydrochloride | AC-36802 | HY-15512A | OTS-167 monohydrochloride | Ethanone, 1-(6-(3, 5-dichloro-4-hydroxyphenyl)-4-((trans-4-((dimethylamino)methyl)cyclohexyl)amino)-1, 5-naphthyridin-3-yl)-, hydrochloride (1:1) | OTSSP167 (hydrochl

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

OTSSP167 (OTS167) hydrochloride is a highly potent and ATP-competitive MELK inhibitor with IC 50 value of 0.41 nM.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl.Cl
• IUPAC Name: 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone;hydrochloride
• InChIKey: XDGWHISAOWEFML-UHFFFAOYSA-N
• 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
• Isómeros SMILES: CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl.Cl
• CAS alternativo: 1431698-10-0
• PubChem CID: 135565272
• Peso molecular: 523.88

Propiedades químicas y físicas

• Solubilidad: DMSO : 33.33 mg/mL (63.62 mM; Need ultrasonic) H2O : 7.14 mg/mL (13.63 mM; Need ultrasonic)
• Peso molecular: 523.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 522.136 Da
• Monoisotopic Mass: 522.136 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 648.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3