Millipore Sigma Vibrant Logo
Attention: We have moved. Merck Millipore products are no longer available for purchase on MerckMillipore.com.Learn More

526561 PI 3-K/mTOR Inhibitor III, PKI-179 - CAS 1197160-28-3 - Calbiochem

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.

MSDS (material safety data sheet) or SDS, CoA and CoQ, dossiers, brochures and other available documents.

Synonyms: 1-(4-(4-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)-phenyl)-3-(pyridin-4-yl)urea, hydrate, N-(4-(4-(4-Morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl)phenyl)-Nʹ-4-pyridinylurea, hydrate, mTOR Inhibitor X, PI 3-K Inhibitor XVII

526561
Purchase on Sigma-Aldrich

Overview

Replacement Information

Key Spec Table

CAS #Empirical Formula
1197160-28-3C₂₅H₂₈N₈O₃•H₂O

Products

Catalogue NumberPackaging Qty/Pack
526561-5MG Glass bottle 5 mg
Description
OverviewA 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.
Catalogue Number526561
Brand Family Calbiochem®
Synonyms1-(4-(4-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)-phenyl)-3-(pyridin-4-yl)urea, hydrate, N-(4-(4-(4-Morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl)phenyl)-Nʹ-4-pyridinylurea, hydrate, mTOR Inhibitor X, PI 3-K Inhibitor XVII
References
ReferencesVenkatesan, A.M., et al. 2010. Bioorg. Med. Chem. Lett. 20, 5869.
Chen, Z., et al. 2010. J. Org. Chem. 75, 1643.
Product Information
CAS number1197160-28-3
FormWhite solid
Hill FormulaC₂₅H₂₈N₈O₃•H₂O
Chemical formulaC₂₅H₂₈N₈O₃•H₂O
Hygroscopic Hygroscopic
Structure formula ImageStructure formula Image
Quality LevelMQ100
Applications
Biological Information
Purity≥98% by HPLC
Physicochemical Information
Dimensions
Materials Information
Toxicological Information
Safety Information according to GHS
Safety Information
Product Usage Statements
Storage and Shipping Information
Ship Code Ambient Temperature Only
Toxicity Regulatory Review
Storage +2°C to +8°C
Protect from Light Protect from light
Hygroscopic Hygroscopic
Do not freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.
Packaging Information
Packaged under inert gas Packaged under inert gas
Transport Information
Supplemental Information
Specifications
Global Trade Item Number
Catalogue Number GTIN
526561-5MG 04055977270358

Documentation

PI 3-K/mTOR Inhibitor III, PKI-179 - CAS 1197160-28-3 - Calbiochem SDS

Title

Safety Data Sheet (SDS) 

PI 3-K/mTOR Inhibitor III, PKI-179 - CAS 1197160-28-3 - Calbiochem Certificates of Analysis

TitleLot Number
526561

References

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

Brochure

Title
New Products: Volume 3, 2012
Data Sheet

Note that this data sheet is not lot-specific and is representative of the current specifications for this product. Please consult the vial label and the certificate of analysis for information on specific lots. Also note that shipping conditions may differ from storage conditions.

Revision08-October-2012 JSW
Synonyms1-(4-(4-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)-phenyl)-3-(pyridin-4-yl)urea, hydrate, N-(4-(4-(4-Morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl)phenyl)-Nʹ-4-pyridinylurea, hydrate, mTOR Inhibitor X, PI 3-K Inhibitor XVII
DescriptionA 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 (t1/2> = 14 min) and monkey than in mouse, rat (t1/2> >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).
FormWhite solid
Intert gas (Yes/No) Packaged under inert gas
CAS number1197160-28-3
Chemical formulaC₂₅H₂₈N₈O₃•H₂O
Structure formulaStructure formula
Purity≥98% by HPLC
SolubilityDMSO (50 mg/ml)
Storage Protect from light
+2°C to +8°C
Hygroscopic
Do Not Freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.
Toxicity Regulatory Review
ReferencesVenkatesan, A.M., et al. 2010. Bioorg. Med. Chem. Lett. 20, 5869.
Chen, Z., et al. 2010. J. Org. Chem. 75, 1643.