Name: Name:Gne-477
Brand: Angene
SKU: AG008TGI
Rating: 90 (10 reviews)

Gne-477

CAS No.:

1032754-81-6

Catalog Number:

AG008TGI

Molecular Formula:

C21H28N8O3S2

Molecular Weight:

504.6288

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

95%

1 week

United States

$196

- +

5mg

95%

1 week

United States

$321

- +

10mg

95%

1 week

United States

$501

- +

25mg

95%

1 week

United States

$946

- +

50mg

95%

1 week

United States

$1585

- +

Product Description

Catalog Number:

AG008TGI

Chemical Name:

Gne-477

CAS Number:

1032754-81-6

Molecular Formula:

C21H28N8O3S2

Molecular Weight:

504.6288

MDL Number:

MFCD20527726

IUPAC Name:

5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

InChI:

InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)

InChI Key:

AKKCGLXULFRAET-UHFFFAOYSA-N

SMILES:

Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)c(C)c(s2)CN1CCN(CC1)S(=O)(=O)C

UNII:

0E8LA9H0RY

Properties

Complexity:

779

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

504.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

504.628g/mol

Monoisotopic Mass:

504.173g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

167A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
GATA3 inhibits lysyl oxidase-mediated metastases of human basal triple-negative breast cancer cells.	Oncogene 20120419
Rational design of phosphoinositide 3-kinase α inhibitors that exhibit selectivity over the phosphoinositide 3-kinase β isoform.	Journal of medicinal chemistry 20111124
Discovery of a potent, selective, and orally available class I phosphatidylinositol 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) kinase inhibitor (GDC-0980) for the treatment of cancer.	Journal of medicinal chemistry 20111110
Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor.	Bioorganic & medicinal chemistry letters 20100415

Properties