Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H34N10O3 |
| Molecular Weight | 570.6455 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN1N=NC2=C(N=C(N=C12)C3=CC=C(NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(C)CC5)C=C3)N6CCOCC6
InChI
InChIKey=ZAXFYGBKZSQBIV-UHFFFAOYSA-N
InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
| Molecular Formula | C29H34N10O3 |
| Molecular Weight | 570.6455 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19968288
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19968288
PKI-402 is a reversible, ATP-competitive,
and equipotent inhibitor of class I PI3Ks, including the
E545K and H1047R PI3K-α mutants, and mTOR (IC50 versus PI3K-α = 2 nmol/L). Selectivity of PKI-402
was established in a screen against 236 diverse human
kinases. PKI-402 caused in vitro growth inhibition of
human tumor cell lines derived from a diverse set of
human tumor tissues, including breast, brain (glioma),
pancreas, and non–small cell lung cancer (NSCLC)
tissues. In vivo, PKI-402 displayed antitumor activity
(i.v. route) in breast [MDA-MB-361: Her2+ and PIK3-
CA (E545K)], glioma (U87MG and PTEN), and NSCLC
(A549; K-Ras and STK11) xenograft models. PKI-402 may be useful either as
a single agent or in combination with cytostatic or cytotoxic
(e.g., temozolomide) drugs in treatment of
glioblastoma multiforme.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Antitumor efficacy profile of PKI-402, a dual phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor. | 2010 Apr |
|
| Lead optimization of N-3-substituted 7-morpholinotriazolopyrimidines as dual phosphoinositide 3-kinase/mammalian target of rapamycin inhibitors: discovery of PKI-402. | 2010 Jan 28 |
Patents
Sample Use Guides
Mice: Single dose of PKI-402 (100 mg/kg) suppresses Akt phosphorylation (at T308) and induces cleaved PARP in MDA-MB-361 tumors. PKI-402 significantly inhibits the growth of A549 tumors in nude mice at 25 mg/kg and 50 mg/kg. PKI-402 at 100 mg/kg (daily for 5 days, one round) causes significant reduction in tumor growth of U87MG.
Route of Administration:
Intravenous
| Substance Class |
Chemical
Created
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Mon Mar 31 22:50:02 GMT 2025
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| Record UNII |
A5XSH56P2N
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| Record Status |
Validated (UNII)
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| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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ACTIVE MOIETY |
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