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526561

Sigma-Aldrich

PI 3-K/mTOR Inhibitor III, PKI-179

The PI 3-K/mTOR Inhibitor III, PKI-179, also referenced under CAS 1197160-28-3, controls the biological activity of PI 3-K/mTOR. This small molecule/inhibitor is primarily used for Phosphorylation & Dephosphorylation applications.

Sinônimo(s):

PI 3-K/mTOR Inhibitor III, PKI-179

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About This Item

Fórmula empírica (Notação de Hill):
C25H28N8O3 · xH2O
Número CAS:
Peso molecular:
488.54 (anhydrous basis)
Código UNSPSC:
12352200
NACRES:
NA.77

Nível de qualidade

Ensaio

≥98% (HPLC)

forma

solid

fabricante/nome comercial

Calbiochem®

condição de armazenamento

OK to freeze
desiccated (hygroscopic)
protect from light

cor

white

solubilidade

DMSO: 50 mg/mL

Condições de expedição

ambient

temperatura de armazenamento

2-8°C

cadeia de caracteres SMILES

O=C(NC1=CC=NC=C1)NC2=CC=C(C=C2)C3=NC(N4[C@H]5COC[C@@H]4CC5)=NC(N6CCOCC6)=N3.[xH2O]

InChI

1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)

chave InChI

WXUUCRLKXQMWRY-UHFFFAOYSA-N

Descrição geral

A cell-permeable triazinyl-phenyl-pyridinylurea compound that acts as a potent inhibitor against mTOR (IC50 = 0.42 nM) and PI 3-K (IC50 = 8, 24, 74, 77, 14, and 11 nM against isoform α, β, γ, δ, α E545K mutant, and α H1047R mutant, respectively) activities, exhibiting much reduced or little activity against a panel of 361 other kinases (IC50 >50 µM), Cytochrome CYP isoforms, or hERG. It is reported to be orally available in mouse, rat, monkey, and dog species, and effectively suppress cancer growth both in cultures in vitro (IC50 = 22 and 29 nM, respectively, against MDA361 and PC3mm2) and in mice in vivo (by 30% of control MDA361 tumor size on day 42; 50 mg/kg/day p.o.) via apoptosis induction as a result of Akt/mTOR pathway inhibition.
A cell-permeable triazinyl-phenyl-pyridinylurea compound that acts as a potent inhibitor against mTOR and PI 3-K activities (IC50 = 0.42 nM against mTOR; IC50 = 8, 24, 74, 77, 14, and 11 nM against PI 3-K isoform α, β, γ, δ, α E545K mutant, and α H1047R mutant, respectively), exhibiting much reduced potency against Cytochrome CYP 2C8 (IC50 = 3 µM) and little or no activity toward 7 other Cytochrome CYP isoforms, hERG (IC50 >30 µM) and a panel of 361 other kinases (IC50 >50 µM). It is reported to be orally available in mouse, rat, monkey, and dog (bioavailability = 98%, 46%, 38%, and 61%, respectively; 10 mg/kg), and effectively suppress cancer growth both in cultures in vitro (IC50 = 22 and 29 nM, respectively, against MDA361 and PC3mm2) and in mice in vivo (40% and 30% of control MDA361 tumor size on day 42, respectively, via daily p.o. dosage of 10 mg/kg and 50 mg/kg) via apoptosis induction as a result of Akt/mTOR pathway inhibition. Although liver microsome stability data indicate a much faster compound metabolism in human (t1/>> = 14 min) and monkey than in mouse, rat (t1/>> >30 min), and dog, the major metabolite remains biologically potent against kinase targets (IC50 =0.8, 4, and 33 nM against mTOR, PI 3-Kα, and PI 3-γ, respectively) and cancer cell proliferation (IC50 = 32 and 80 nM, respectively, against MDA361 and PC3mm2).
The PI 3-K/mTOR Inhibitor III, PKI-179, also referenced under CAS 1197160-28-3, controls the biological activity of PI 3-K/mTOR. This small molecule/inhibitor is primarily used for Phosphorylation & Dephosphorylation applications.

Embalagem

Packaged under inert gas

Advertência

Toxicity: Regulatory Review (Z)

Reconstituição

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Outras notas

Venkatesan, A.M., et al. 2010. Bioorg. Med. Chem. Lett.20, 5869.
Chen, Z., et al. 2010. J. Org. Chem.75, 1643.

Informações legais

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable


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