Introduction：Basic information about CAS 481-18-5|alpha-Spinasterol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | alpha-Spinasterol |
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| CAS Number | 481-18-5 | Molecular Weight | 412.691 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 500.0±44.0 °C at 760 mmHg |
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| Molecular Formula | C29H48O | Melting Point | 168-169° |
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| MSDS | / | Flash Point | 219.1±20.7 °C |
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Names
| Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
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| Synonym | More Synonyms |
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alpha-Spinasterol BiologicalActivity
| Description | α-Spinasterol, isolated from Spinacia oleracea, has antibacterial activity[1]. α-Spinasterol is a transient receptor potential vanilloid 1 (TRPV1) antagonist, has anti-inflammatory, antidepressant, antioxidant and antinociceptive effects. α-Spinasterol inhibits COX-1 andCOX-2 activities with IC50 values of 16.17 μM and 7.76 μM, respectively[2]. |
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| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>TRP ChannelResearch Areas >>InfectionSignaling Pathways >>Immunology/Inflammation >>COXResearch Areas >>Neurological Disease |
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| Target | COX-1:16.17 μM (IC50) COX-2:7.76 μM (IC50) TRPV1 |
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| References | [1]. Brusco I, et al. α-Spinasterol: a COX inhibitor and a transient receptor potential vanilloid 1 antagonist presents an antinociceptive effect in clinically relevant models of pain in mice. Br J Pharmacol. 2017 Dec;174(23):4247-4262. [2]. Yang X, et al. A novel method for synthesis of α-spinasterol and its antibacterial activities in combination with ceftiofur. Fitoterapia. 2017 Jun;119:12-19. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 500.0±44.0 °C at 760 mmHg |
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| Melting Point | 168-169° |
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| Molecular Formula | C29H48O |
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| Molecular Weight | 412.691 |
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| Flash Point | 219.1±20.7 °C |
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| Exact Mass | 412.370514 |
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| PSA | 20.23000 |
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| LogP | 10.13 |
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| Vapour Pressure | 0.0±2.9 mmHg at 25°C |
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| Index of Refraction | 1.531 |
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| InChIKey | JZVFJDZBLUFKCA-FXIAWGAOSA-N |
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| SMILES | CCC(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- WJ2480000
- CHEMICAL NAME :
- 5-alpha-Stigmasta-7,22-dien-3-beta-ol, (E)-
- CAS REGISTRY NUMBER :
- 481-18-5
- LAST UPDATED :
- 198608
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C29-H48-O
- MOLECULAR WEIGHT :
- 412.77
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 479 mg/kg
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 20,257,1985
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Safety Information
Synonyms
| a-Spinasterin |
| Bessisterol |
| UNII:0LG993QX1A |
| Spinasterol |
| (3b,5a,22E)-Stigmasta-7,22-dien-3-ol |
| Alpha-Spinasterol |
| spinasta-7,22-dien-3-ol |
| Hitodesterol |
| Chondrillasterol |
| a-Spinasterol |
| Stigmasta-7,22-dien-3-ol, (3β,5α,22E)- |
| α-Spinasterin |
| (3β,5α,22E)-Stigmasta-7,22-dien-3-ol |
