Introduction：Basic information about CAS 73069-25-7|(-)-pareruptorin A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (-)-pareruptorin A |
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| CAS Number | 73069-25-7 | Molecular Weight | 386.395 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 486.8±45.0 °C at 760 mmHg |
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| Molecular Formula | C21H22O7 | Melting Point | / |
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| MSDS | USA | Flash Point | 211.5±28.8 °C |
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Names
| Name | Praeruptorin A |
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| Synonym | More Synonyms |
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(-)-pareruptorin A BiologicalActivity
| Description | (±)-Praeruptorin A is the di-esterified product of cis-khellactone (CKL) and the major active ingredient in Peucedani Radix which consists of the dried roots of Peucedanum praeruptorumDunn (Apiaceae). (±)-Praeruptorin A has been widely employed as one of the famous traditional Chinese medicines (TCMs) for the treatment of cough with thick sputum and dyspnea, nonproductive cough and upper respiratory infections for centuries in China. (±)-Praeruptorin A has dramatically therapeutic effects on hypertension mainly through acting as a Ca2+-influx blocker[1]. |
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| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>Calcium ChannelResearch Areas >>Infection |
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| Target | Ca2+ |
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| References | [1]. Song YL, et al. Metabolic characterization of (±)-praeruptorin A in vitro and in vivo by high performance liquidchromatography coupled with hybrid triple quadrupole-linear ion trap mass spectrometry and time-of-flight mass spectrometry. J Pharm Biomed Anal. 2014 Mar;90:98-110. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 486.8±45.0 °C at 760 mmHg |
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| Molecular Formula | C21H22O7 |
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| Molecular Weight | 386.395 |
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| Flash Point | 211.5±28.8 °C |
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| Exact Mass | 386.136566 |
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| PSA | 92.04000 |
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| LogP | 4.18 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.574 |
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| InChIKey | XGPBRZDOJDLKOT-NXIDYTHLSA-N |
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| SMILES | CC=C(C)C(=O)OC1C(OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C |
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Safety Information
Synonyms
| PraeruptorinA |
| 2-Butenoicacid,2-methyl-,(9S,10S)-10-(acetyloxy) |
| (+)-cis-4'-acetyl-3'-angeloylkhellactone |
| 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H |
| 2-Butenoic acid, 2-methyl-, (9R,10S)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)- |
| (9S,10S)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methylbut-2-enoate |
| (+)-Praeruptorin |
| (+)-cis-3'-angeloyl-4'-acetylkhellactone |
| 2-Butenoic acid, 2-methyl-, (9S,10S)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)- |
| (-)-pareruptorin A |
| (9R,10S)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate |
| (+)-isopteryxin |
| (9S,10S)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate |
