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    InvivoChem Cat #: V0883
    CAS #: 959763-06-5Purity ≥98%

    Description: CH5138303 (CH 5138303; CH-5138303) is a novel, potent, orally boavailable HSP90 (Heat Shock Protein 90) inhibitor with potential anticancer activity. It inhibits HSP90 with a Kd of 0.48 nM. CH5138303 exhibits high in vivo antitumor efficacy in Human NCI-N87 gastric cancer xenograft model.

    References: Bioorg Med Chem. 2014 Jan 15;22(2):892-905.

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    Molecular Weight (MW)415.9
    CAS No.959763-06-5
    Storage-20℃ for 3 years in powder form
    -80℃ for 2 years in solvent
    Solubility (In vitro)DMSO: 83 mg/mL (199.6 mM)
    Water: <1 mg/mL
    Ethanol: <1 mg/mL
    Other info

    Chemical Name: 4-((4-amino-6-(5-chloro-1,3-dihydrobenzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl)thio)butanamide


    InChi Code: InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25)

    SMILES Code: O=C(N)CCCSC1=NC(N)=NC(C2=C3C(C(COC4)=CC=C3)=C4C=C2Cl)=N1


    CH-5138303; CH 5138303; CH5138303; 

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    In Vitro

    In vitro activity: CH5138303 shows high affinity to Hsp90αand potent cell growth inhibitory activity against an HCT116 colorectal cancer cell line and an NCI-N87 gastric cancer cell line with IC50 of 98 nM and 66 nM, respectively. Besides, CH5138303 also demonstrates liver microsomal stability.

    Kinase Assay: Measurements are performed on a Biacore2000 at a flow rate of 30 μL/min, 25 °C in 50 mM Tris-based saline, pH 7.6, 0.005% Tween20 and 1% DMSO. Biotinylated N-terminal Hsp90α (9–236) is coupled on a streptavidin-coated surface of a sensorchip to a density of ca. 2000 RU.

    Cell Assay: HCT116 cell line and NCI-N87 cell line are cultured according to the supplier’s instructions. Cells suspended in a medium are added to solutions containing various concentrations of the test substance, and the cells are cultured at 37 °C in 5% CO2. Four days later, Cell Counting Kit-8 solution is added and absorbance at 450 nm is measured with Microplate-Reader iMark. Antiproliferative activity is calculated by the formula (1−T/C) × 100 (%), where T represents the absorbance of drug-treated cells and C that of untreated control cells at 450 nm. The 50% inhibition concentration (IC50) values are calculated using Microsoft Excel 2007.

    In VivoCH5138303 (50 mg/kg p.o.) displays high oral bioavailability in mice and produces potent antitumor efficacy in a human NCI-N87 gastric cancer xenograft model.
    Animal modelHuman NCI-N87 gastric cancer xenograft model.
    Formulation & Dosage50 mg/kg; p.o.

    Bioorg Med Chem. 2014 Jan 15;22(2):892-905.

    These protocols are for reference only. InvivoChem does not independently validate these methods.


    Bioorg Med Chem. 2014 Jan 15;22(2):892-905.


    Bioorg Med Chem. 2014 Jan 15;22(2):892-905.


    Bioorg Med Chem. 2014 Jan 15;22(2):892-905.


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