Physicochemical Properties
| Molecular Formula | C16H12O3 |
| Molecular Weight | 252.264684677124 |
| Exact Mass | 252.08 |
| Elemental Analysis | C, 76.18; H, 4.79; O, 19.03 |
| CAS # | 927885-00-5 |
| Related CAS # | 927885-00-5 |
| PubChem CID | 16215105 |
| Appearance | Solid powder |
| LogP | 3.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 19 |
| Complexity | 306 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BXZJBSHLEZAMOP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H12O3/c17-13-4-3-10-7-12(2-1-11(10)8-13)15-6-5-14(18)9-16(15)19/h1-9,17-19H |
| Chemical Name | 4-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol |
| Synonyms | HS-1793; HS1793; HS 1793 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | MCF-7, MDA-MB-231, and HCT116 cell growth is inhibited by HS-1793 (0-100 µM; 24 hours) [1][2]. HS-1793 (0-50 µM; 4 hours) downregulates hypoxia-induced VEGF expression, inhibits hypoxia-induced mRNA expression of VEGF, and inhibits hypoxia-induced HIF-1α protein in MCF-7 and MDA-MB-231 cells independent of cell death [1]. In HCT116 cells, HS-1793 (0-100 µM; 24 hours) suppresses Akt and ERK phosphorylation, causes apoptosis, and accelerates G2/M cell cycle arrest [2]. |
| ln Vivo | Significantly and in a dose-dependent manner, HS-1793 (5 and 10 mg/kg; i.p.; twice weekly for 4 weeks) inhibited the growth of MDA-MB-231 xenograft tumors while relatively preventing angiogenesis without causing toxicity [ 1]. |
| Cell Assay |
Cell proliferation assay[1] Cell Types: MCF-7, MDA-MB-231 and MCF-10A Tested Concentrations: 0-100 μM Incubation Duration: 24 h Experimental Results: demonstrated anti-proliferative activity with IC50 values of 26.3±3.2, 48.2± 4.2 and >100 μM for MCF-7, MDA-MB-231 and MCF-10A respectively. Western Blot Analysis[1] Cell Types: MCF-7, MDA-MB-231 Tested Concentrations: 12.5, 25 and 50 μM Incubation Duration: 4 h Experimental Results: HIF-1α expression was downregulated in a concentration-dependent manner in both cell lines. RT-PCR[1] Cell Types: MCF-7, MDA-MB-231 Tested Concentrations: 12.5, 25, 50 μM Incubation Duration: 4 h Experimental Results: VEGF mRNA expression was down-regulated, and the effect of MDA-MB was more obvious - 231 cells. Cell proliferation assay[2] Cell Types: HCT116 Tested Concentrations: 12.5, 25, 50 and 100 µM Incubation Duration: 1, 2 and 4 days Experimental Results: Concentration- and time-dependent significant reduction in cell viability. Dramatically inhibited the proliferation of colon cancer cell line HCT116. Apoptosis analysis[2] Cell Types: HCT116 Concentrati |
| Animal Protocol |
Animal/Disease Models: Fiveweeks old female BALB/c nude mice were injected with MDA-MB-231 cells [1] Doses: 5 mg/kg and 10 mg/kg (dissolved in 0.1% v/v dimethyl sulfoxide (DMSO) in PBS)) Route of Administration: intraperitoneal (ip) injection, twice a week, for 4 weeks. Experimental Results: Dramatically inhibited the growth of MDA-MB-231 xenograft tumors in a dose-dependent manner without toxicity. Dramatically diminished Ki-67 (proliferation marker) and CD31 expression. Successfully inhibited the expression of HIF-1α and VEGF in tumor tissues. |
| References |
[1]. Kim DH, et al. HS-1793, a resveratrol analogue, downregulates the expression of hypoxia-induced HIF-1 and VEGF and inhibits tumor growth of human breast cancer cells in a nude mouse xenograft model. Int J Oncol. 2017 Aug;51(2):715-723. [2]. Kim DH, et al. Resveratrol analogue, HS-1793, induces apoptotic cell death and cell cycle arrest through downregulation of AKT in human colon cancer cells. Oncol Rep. 2017 Jan;37(1):281-288. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9642 mL | 19.8208 mL | 39.6416 mL | |
| 5 mM | 0.7928 mL | 3.9642 mL | 7.9283 mL | |
| 10 mM | 0.3964 mL | 1.9821 mL | 3.9642 mL |