CH5138303Hsp90 inhibitor, orally available CAS# 959763-06-5 |
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Quality Control & MSDS
3D structure
Package In Stock
Number of papers citing our products
| Cas No. | 959763-06-5 | SDF | Download SDF |
| PubChem ID | 25066238 | Appearance | Powder |
| Formula | C19 H18 Cl N5 O2 S | M.Wt | 415.9 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in DMSO > 10 mM | ||
| SMILES | C1C2=CC=CC3=C2C(=CC(=C3C4=NC(=NC(=N4)SCCCC(=O)N)N)Cl)CO1 | ||
| Standard InChIKey | VIGHQZSTZWNWFA-UHFFFAOYSA-N | ||
| Standard InChI | 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) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | CH5138303 is an orally available inhibitor of Hsp90 with Kd value of 0.48 nM. | |||||
| Targets | Hsp90 | |||||
| IC50 | (Kd=0.48 nM) | |||||
CH5138303 Dilution Calculator
CH5138303 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.4044 mL | 12.0221 mL | 24.0442 mL | 48.0885 mL | 60.1106 mL |
| 5 mM | 0.4809 mL | 2.4044 mL | 4.8088 mL | 9.6177 mL | 12.0221 mL |
| 10 mM | 0.2404 mL | 1.2022 mL | 2.4044 mL | 4.8088 mL | 6.0111 mL |
| 50 mM | 0.0481 mL | 0.2404 mL | 0.4809 mL | 0.9618 mL | 1.2022 mL |
| 100 mM | 0.024 mL | 0.1202 mL | 0.2404 mL | 0.4809 mL | 0.6011 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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CH5138303 is an inhibitor of Hsp90 with Kd value of 0.48 nM [1].
Heat shock protein 90 (HSP90) is a chaperone protein that stabilizes proteins against heat stress, assists proteins to fold properly and aids in protein degradation. Also, HSP90 stabilizes proteins required for tumor growth.
CH5138303 is an orally available Hsp90 inhibitor. CH5138303 showed improved water solubility with 646 μM and high affinity against Hsp90α with Kd value of 0.48 nM. In NCI-N87 cells, CH5138303 decreased the protein level and phosphorylation of Hsp90 target proteins such as Raf1, AKT, EGFR and HER2 [1].
In mice, CH5138303 exhibited high plasma clearance, oral bioavailability and total systemic exposure (AUC). In mice bearing human NCI-N87 gastric cancer xenograft model, CH5138303 exhibited potent antitumor efficacy with tumor growth inhibition (TGI) of 136% and ED50 value of 3.9 mg/kg [1].
Reference:
[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, 2014, 22(2): 892-905.
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Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors.[Pubmed:24369839]
Bioorg Med Chem. 2014 Jan 15;22(2):892-905.
A novel series of 2-amino-1,3,5-triazines bearing a tricyclic moiety as heat shock protein 90 (Hsp90) inhibitors is described. Molecular design was performed using X-ray cocrystal structures of the lead compound CH5015765 and natural Hsp90 inhibitor geldanamycin with Hsp90. We optimized affinity to Hsp90, in vitro cell growth inhibitory activity, water solubility, and liver microsomal stability of inhibitors and identified CH5138303. This compound showed high binding affinity for N-terminal Hsp90alpha (Kd=0.52nM) and strong in vitro cell growth inhibition against human cancer cell lines (HCT116 IC50=0.098muM, NCI-N87 IC50=0.066muM) and also displayed high oral bioavailability in mice (F=44.0%) and potent antitumor efficacy in a human NCI-N87 gastric cancer xenograft model (tumor growth inhibition=136%).
