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Apitolisib

CAS No.:
1032754-93-0
Catalog Number:
AG0035ZH
Molecular Formula:
C23H30N8O3S
Molecular Weight:
498.6011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%(HPLC)
In Stock USA
United States
$122
- +
5mg
98%(HPLC)
In Stock USA
United States
$158
- +
10mg
98%(HPLC)
In Stock USA
United States
$208
- +
Product Description
Catalog Number:
AG0035ZH
Chemical Name:
Apitolisib
CAS Number:
1032754-93-0
Molecular Formula:
C23H30N8O3S
Molecular Weight:
498.6011
MDL Number:
MFCD20274520
IUPAC Name:
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
InChI:
InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
InChI Key:
YOVVNQKCSKSHKT-HNNXBMFYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C
UNII:
1C854K1MIJ
Properties
Complexity:
715  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
498.216g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
498.606g/mol
Monoisotopic Mass:
498.216g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Compound Selectivity and Target Residence Time of Kinase Inhibitors Studied with Surface Plasmon Resonance. Journal of molecular biology 20170217
Phosphoinositide 3-kinase (PI3K) pathway alterations are associated with histologic subtypes and are predictive of sensitivity to PI3K inhibitors in lung cancer preclinical models. Clinical cancer research : an official journal of the American Association for Cancer Research 20121215
Preclinical assessment of the absorption and disposition of the phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor GDC-0980 and prediction of its pharmacokinetics and efficacy in human. Drug metabolism and disposition: the biological fate of chemicals 20120901
Modulation of Akt/mTOR signaling overcomes sunitinib resistance in renal and prostate cancer cells. Molecular cancer therapeutics 20120701
GDC-0980 is a novel class I PI3K/mTOR kinase inhibitor with robust activity in cancer models driven by the PI3K pathway. Molecular cancer therapeutics 20111201
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
The emerging mechanisms of isoform-specific PI3K signalling. Nature reviews. Molecular cell biology 20100501
mTOR signaling at a glance. Journal of cell science 20091015
Defining the role of mTOR in cancer. Cancer cell 20070701
The phosphoinositide 3-kinase pathway. Science (New York, N.Y.) 20020531
Screening hospital admissions from the emergency department for occult carbon monoxide poisoning. The American journal of emergency medicine 19900701
Properties