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1197160-78-3 | Urea, N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-
CAS No: 1197160-78-3 Catalog No: AG000PHY MDL No:MFCD16875679
Product Description
Catalog Number:
AG000PHY
Chemical Name:
Urea, N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-
CAS Number:
1197160-78-3
Molecular Formula:
C32H41N9O4
Molecular Weight:
615.7258
MDL Number:
MFCD16875679
IUPAC Name:
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
InChI:
InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
InChI Key:
DWZAEMINVBZMHQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C
UNII:
96265TNH2R
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
615.328g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
615.739g/mol
Monoisotopic Mass:
615.328g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| PKI-587 and sorafenib targeting PI3K/AKT/mTOR and Ras/Raf/MAPK pathways synergistically inhibit HCC cell proliferation. | The Journal of surgical research 20120801 |
| Identification of 2-oxatriazines as highly potent pan-PI3K/mTOR dual inhibitors. | Bioorganic & medicinal chemistry letters 20110815 |
| Antitumor efficacy of PKI-587, a highly potent dual PI3K/mTOR kinase inhibitor. | Clinical cancer research : an official journal of the American Association for Cancer Research 20110515 |
| PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor. | Bioorganic & medicinal chemistry letters 20101001 |
| Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. | Journal of medicinal chemistry 20100325 |
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