Name: Name:9-Cyclopentyl-2-({2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)-7-methylpurin-8-one
Brand: Angene
SKU: AG007B33
Rating: 90 (10 reviews)

9-Cyclopentyl-2-({2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)-7-methylpurin-8-one

CAS No.:

1124329-14-1

Catalog Number:

AG007B33

Molecular Formula:

C24H32N6O3

Molecular Weight:

452.5493

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

≥98%

1 week

United States

$175

- +

10mg

99%

1 week

United States

$198

- +

50mg

99%

1 week

United States

$473

- +

100mg

99%

1 week

United States

$807

- +

Product Description

Catalog Number:

AG007B33

Chemical Name:

9-Cyclopentyl-2-({2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)-7-methylpurin-8-one

CAS Number:

1124329-14-1

Molecular Formula:

C24H32N6O3

Molecular Weight:

452.5493

MDL Number:

MFCD18384959

IUPAC Name:

9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one

InChI:

InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)

InChI Key:

YUKWVHPTFRQHMF-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C)OC1CCN(CC1)C

Properties

Complexity:

669

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

452.254g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

452.559g/mol

Monoisotopic Mass:

452.254g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach.	Bioorganic & medicinal chemistry letters 20130801
Sustained Mps1 activity is required in mitosis to recruit O-Mad2 to the Mad1-C-Mad2 core complex.	The Journal of cell biology 20100712

Properties