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MPI-0479605

MPI-0479605 structure

CAS No:
1246529-32-7
Formula:
C22H29N7O
Chemical Name:
MPI-0479605
Synonyms:
MPI-0479605;N6-cyclohexyl-N2-(2-methyl-4-morpholinophenyl)-9H-purine-2,6-diamine;MPI0479605 HCl;N6-Cyclohexyl-N2-[2-methyl-4-(4-morpholinyl)phenyl]-9H-purine-2,6-diamine
Categories:
Biochemical Engineering > Inhibitors

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Description

MPI-0479605 is a potent and selective ATP-competitive inhibitor of Mps1, with an IC50 of 1.8 nM.

MPI-0479605 Basic Attributes

Molecular Weight：

407.52

Exact Mass：

407.243347

Characteristics

PSA：

XLogP3：

4.2

Density：

1.318±0.06 g/cm3(Predicted)

Boiling Point：

745.8±70.0 °C(Predicted)

Refractive Index：

1.700

Drug Information

MeSH Entry Terms：

MPI-0479605

MPI-0479605 Use and Manufacturing

N*6*-Cvclohexyl-N*2*-(2-methyl-4-morpholin-4-yl-phenyl)-9H- purine-2, 6-diamine (Table 1, C9): Compound 1 (2.00 g, 7.91 mmol) was combined in an 80 mL microwave vial with compound 4 (2.53 g, 9.56 mmol), sodium acetate (980 mg, 11.95 mmol) and chloroform (40 mL) creating a suspension.

Computed Properties

Molecular Weight:407.5
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:407.24335857
Monoisotopic Mass:407.24335857
Topological Polar Surface Area:91
Heavy Atom Count:30
Complexity:540
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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MPI-0479605

CAS No.: 1246529-32-7

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