A potent and orally bioavailable Hsp90 inhibitor
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CH5138303

Item No. 22417

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
4-[[4-amino-6-(5-chloro-1H,3H-naphtho[1,8-cd]pyran-6-yl)-1,3,5-triazin-2-yl]thio]-butanamide
CAS Number
959763-06-5
Molecular Formula
C19H18ClN5O2S
Formula Weight
415.9
Purity
≥99%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 33 mg/mlDMSO: 33 mg/mlDMSO:PBS (pH 7.2)(1:5): 0.16 mg/ml
λmax
229 nm
SMILES
NC1=NC(SCCCC(N)=O)=NC(C2=C(Cl)C=C3C4=C2C=CC=C4COC3)=N1
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)
InChi Key
VIGHQZSTZWNWFA-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

    $129

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    5 mg

    $445

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    Cayman Chemical
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    Product Description

    CH5138303 is a triazine Hsp90 inhibitor.1 CH5138303 binds to the N-terminus of Hsp90α (Kd = 0.52 nM) and inhibits growth of HCT116 and NCI-N87 human tumor cell lines in vitro (IC50s = 89 and 66 nM, respectively). CH5138303 also inhibits growth of human NCI-N87 gastric cancer xenografts (ED50 = 3.9 mg/kg) and displays high oral bioavailability in mice.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Suda, A., Kawasaki, K., Komiyama, S., et al. Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors. Bioorg. Med. Chem. 22(2), 892-905 (2014).