ChemicalBook--->CAS DataBase List--->1609584-72-6

1609584-72-6

1609584-72-6 Structure

1609584-72-6 Structure
IdentificationBack Directory
[Name]

MPS1-IN-3
[CAS]

1609584-72-6
[Synonyms]

Mps1-IN-3
1-(4-(6-(2-(Isopropylsulfonyl)phenylamino)-9H-purin-2-ylamino)-3-methoxyphenyl)piperidin-4-ol
4-Piperidinol, 1-[3-methoxy-4-[[6-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-9H-purin-2-yl]amino]phenyl]-
[Molecular Formula]

C26H31N7O4S
[MOL File]

1609584-72-6.mol
[Molecular Weight]

537.63
Chemical PropertiesBack Directory
[Boiling point ]

890.3±75.0 °C(Predicted)
[density ]

1.407±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO
[form ]

Powder
[pka]

10.35±0.10(Predicted)
[color ]

off-white
[InChIKey]

OFRMASLPWOMYHN-UHFFFAOYSA-N
[SMILES]

OC1CCN(C2=CC=C(NC3=NC(NC=N4)=C4C(NC5=C(S(=O)(C(C)C)=O)C=CC=C5)=N3)C(OC)=C2)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

46
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

Mps1-in-3 is a potent and selective Monopolar Spindle 1(MPS1) Inhibitor.
[Biological Activity]

Mps1 mediates phosphorylation of kinetochore scaffold 1.''Mps1-IN-3 is an inhibitor of Monopolar spindle 1 (MPS1also known as TTK)a Dual-specificity kinase required for spindle pole body duplication and spindle checkpoint function. Mps1-IN-3 inhibited Mps1 kinase activity with an IC50 value of 50 nM inhibited the proliferation of U251 glioblastoma cells as determined by cell counting with an IC50 value of approximately 5 μMand sensitized glioblastoma cells to vincristine in orthotopic mouse models.
[in vivo]

Mps1-IN-3 (2 mg/kg, i.v.) sensitizes glioblastoma cells in murine tumor models, with prolonged survival and no toxicity[1].

[IC 50]

Mps1: 50 nM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

MPS1-IN-3(1609584-72-6)1HNMR
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