Acarbose CAS#: 56180-94-0; 凯望编码 (ChemWhat Code): 53113
Identification
| 英文名 | Acarbose |
| IUPAC Name | (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal |
| 分子结构 |  |
| CAS编号 | 56180-94-0 |
| EINECS Number | 260-030-7 |
| MDL Number | MFCD00869592 |
| Beilstein Registry Number | No data available |
| 别名 | acarboseglucobayACR |
| 分子式 | C25H43NO18 |
| 分子量 | 645.60 |
| InChI | InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-/m1/s1 |
| InChI Key | XUFXOAAUWZOOIT-SXARVLRPSA-N |
| Canonical SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN119751537 | Triterpenoid phenolic acid ester derivative as well as preparation method and application thereof | 2025 |
Physical Data
| Appearance | White to pale yellow powder |
| Solubility | Highly soluble in water, soluble in methanol, and almost insoluble in dichloromethane. |
| Flash Point | No data available |
| Refractive index | 1.6000 (estimate) |
| Sensitivity | No data available |
| Description (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Association with compound | 24.9 | Saccharomyces cerevisiae α-glucosidase |
Spectra
| Description (Mass Spectrometry) |
| time-of-flight mass spectra (TOFMS), liquid chromatography mass spectrometry (LCMS), spectrum |
| liquid chromatography mass spectrometry (LCMS), electrospray ionisation (ESI), tandem mass spectrometry, spectrum |
| liquid chromatography mass spectrometry (LCMS), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: acarbose With hydrogenchloride In water at 0℃; for 0.166667h; pH=2.9 – 3.1; Stage #2: With sodium nitrite at 0 – 4℃; for 12h; | 99% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P264, P270, P301+P317, P330, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 4 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 645.612 |
| logP | -6.3 |
| HBA | 19 |
| HBD | 14 |
| Matching Lipinski Rules | 1 |
| Veber rules component | |
| Polar Surface Area (PSA) | 329.01 |
| Rotatable Bond (RotB) | 13 |
| Matching Veber Rules | 0 |
| Use Pattern |
| Acarbose is an alpha-glucosidase inhibitor used as an oral antidiabetic API to control postprandial blood glucose in patients with type 2 diabetes. |
| an α-glucosidase inhibitor |
| preparation of a drug for treating diabetes |
| in combination with lipid metabolism modulator for preventing or treating a neurodegenerative disease |
| in combination with lipid metabolism modulator for reduce the accumulation of an amyloid P peptide in brain of the subject |
suppress the decrease in cell viability and the cell aggregation
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认证生产商 | |
| Ulcho Biochemical Ltd | http://www.ulcho.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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