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

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Key Specifications Table

Empirical FormulaCAS #
C₂₅H₂₈N₈O₃•H₂O 1197160-28-3

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526561-5MG
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      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®
      SynonymsmTOR Inhibitor X, 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, 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

      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.
      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
      SynonymsmTOR Inhibitor X, 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, 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 +2°C to +8°C
      Hygroscopic
      Protect from light
      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.