CAS 28808-62-0|Fraxinellone
Introduction：Basic information about CAS 28808-62-0|Fraxinellone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Fraxinellone | ||
|---|---|---|---|
| CAS Number | 28808-62-0 | Molecular Weight | 232.275 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 372.9±30.0 °C at 760 mmHg |
| Molecular Formula | C14H16O3 | Melting Point | 116ºC |
| MSDS | ChineseUSA | Flash Point | 179.3±24.6 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | fraxinellone |
|---|---|
| Synonym | More Synonyms |
Fraxinellone BiologicalActivity
| Description | Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Stem Cell/Wnt >>STATResearch Areas >>CancerSignaling Pathways >>JAK/STAT Signaling >>STATSignaling Pathways >>Immunology/Inflammation >>PD-1/PD-L1 |
| In Vitro | Fraxinellone (0-100 μM；12 hours) decreases the percent of PD-L1 positive cells from 20.4% to 11.4% in A549 cells[1]. Cell Viability Assay[1] Cell Line: A549 cells Concentration: 0 μM, 10 μM, 30 μM, 100 μM Incubation Time: 12 hours Result: Inhibited the percent of PD-L1 positive cells. |
| In Vivo | Fraxinellone (oral gavage; 30 and 100 mg/kg; every three days; 30 days) significantly suppresses tumor growth, reduces HIF-1α, pTyr705 STAT3, PD-L1 and VEGF staining compared with the control group in female athymic BALB/c nude mice[1]. Animal Model: BALB/c nude mice[1] Dosage: 30 and 100 mg/kg Administration: Oral gavage; 30 and 100 mg/kg; every three days; 30 days Result: Significantly suppressed tumor growth. |
| References | [1]. Xing Y, et al. Fraxinellone has anticancer activity in vivo by inhibiting programmed cell death-ligand 1 expression by reducing hypoxia-inducible factor-1α and STAT3. Pharmacol Res. 2018 Sep;135:166-180. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 372.9±30.0 °C at 760 mmHg |
| Melting Point | 116ºC |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.275 |
| Flash Point | 179.3±24.6 °C |
| Exact Mass | 232.109940 |
| PSA | 39.44000 |
| LogP | 2.85 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.552 |
| InChIKey | XYYAFLHHHZVPRN-GXTWGEPZSA-N |
| SMILES | CC1=C2C(=O)OC(c3ccoc3)C2(C)CCC1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 274 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 116 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 430 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 355 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 424 mg/kg
- SEX/DURATION :
- female 5-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 |
| Precautionary Statements | P301 + P310 |
| Hazard Codes | Xn |
| Safety Phrases | 24/25 |
| RIDADR | UN 2811 6.1/PG III |
| RTECS | TI3767000 |
| Packaging Group | III |
Synonyms
| (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one |
| (3R,3aR)-3-(3-Furyl)-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one |
| 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)- |
