CAS 959763-06-5|CH5138303
Introduction：Basic information about CAS 959763-06-5|CH5138303, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | CH5138303 | ||
|---|---|---|---|
| CAS Number | 959763-06-5 | Molecular Weight | 415.89700 |
| Density | / | Boiling Point | / |
| Molecular Formula | C19H18ClN5O2S | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | ch5138303 |
|---|
CH5138303 BiologicalActivity
| Description | CH5138303 is a potent and orally active Hsp90 inhibitor. CH5138303 shows high binding affinity for N-terminal Hsp90α, with Kd of 0.52 nM. CH5138303 shows potent anti-proliferative activity against human cancer cell lines (HCT116 and NCI-N87), with IC50 values of 0.098 and 0.066 μM, respectively. CH5138303 shows high oral bioavailability in mice (F=44.0%). CH5138303 shows potent antitumor efficacy in a human NCI-N87 gastric cancer xenograft model[1][2]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>HSPResearch Areas >>InfectionSignaling Pathways >>Cell Cycle/DNA Damage >>HSP |
| Target | HSP90α:0.52 nM (Kd) |
| In Vitro | When used in combination with FLC, CH5138303 shows antifungal activitiy against azole-resistant C. albicans, with a FICI (fractional inhibitory concentration index) of 0.500[2]. |
| In Vivo | CH5138303 (SCID mice bearing NCI-N87 cells, 0-50 mg/kg, Orally, once daily for 11 days) shows potent antitumor efficacy with TGI (tumor growth inhibition) of 136% and a median effective dose (ED50) of 3.9 mg/kg without significant loss of body weight[1]. |
| References | [1]. Atsushi Suda, et al. Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors. Bioorganic & Medicinal Chemistry. 15 January 2014;22(2):892-905. [2]. Yuan R, et al. Effects of Hsp90 Inhibitor Ganetespib on Inhibition of Azole-Resistant Candida albicans. Front Microbiol. 2021 May 20;12:680382. |
Chemical & Physical Properties
| Molecular Formula | C19H18ClN5O2S |
|---|---|
| Molecular Weight | 415.89700 |
| Exact Mass | 415.08700 |
| PSA | 142.31000 |
| LogP | 4.59670 |
| InChIKey | VIGHQZSTZWNWFA-UHFFFAOYSA-N |
| SMILES | NC(=O)CCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 |
| Storage condition | -20℃ |
