Name: Name:MPI-0479605
Brand: Angene
SKU: AG009CJ8
Rating: 90 (10 reviews)

MPI-0479605

CAS No.:

1246529-32-7

Catalog Number:

AG009CJ8

Molecular Formula:

C22H29N7O

Molecular Weight:

407.5120

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$119

- +

5mg

≥98%

1 week

United States

$322

- +

10mg

≥98%

1 week

United States

$557

- +

25mg

≥98%

1 week

United States

$1151

- +

50mg

99%

1 week

United States

$2273

- +

Product Description

Catalog Number:

AG009CJ8

Chemical Name:

MPI-0479605

CAS Number:

1246529-32-7

Molecular Formula:

C22H29N7O

Molecular Weight:

407.5120

MDL Number:

MFCD28099811

IUPAC Name:

6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

InChI:

InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)

InChI Key:

OVJBNYKNHXJGSA-UHFFFAOYSA-N

SMILES:

Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2)N1CCOCC1

Properties

Complexity:

540

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

407.243g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

407.522g/mol

Monoisotopic Mass:

407.243g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors.	Bioorganic & medicinal chemistry letters 20120701
Characterization of the cellular and antitumor effects of MPI-0479605, a small-molecule inhibitor of the mitotic kinase Mps1.	Molecular cancer therapeutics 20111201

Properties