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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 11027-63-7 |
| Catalog No. | 2A-9009080 |
| Chinese Name | 牡荆甙 |
| Synonyms | Agnuside |
| Molecular Formula | C22H26O11 |
| Molecular Weight | 466.44 |
| Purity | ≥95 (LC/MS-ELSD) |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 785.5±60.0 °C at 760 mmHg |
| Melting Point | 134-136ºC |
| Appearance | solid |
| Storage Condition | ?20°C |
| Application | Agnuside is a compound isolated from Vitex japonicus, which can downregulate the inflammatory mediators PGE2 and LTB4, reduce the expression of cytokines, and has anti-arthritic activity. |
| HTC | 29329990 |
| PubChem ID | 329824854 |
| SMILES | OC[C@H]1O[C@@H](OC2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | 1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21?,22-/m0/s1 |
| InChI Key | GLACGTLACKLUJX-WMGXWGHESA-N |
| NACRES Code | NA.25 |
| UNSPSC | 12352205 |
| Hazard Symbols | Transport |
| MSDS | msds/9080_1_11027_63_7.pdf |
| Bioactivity | Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Prostaglandin Receptor Research Areas >> Inflammation/Immunology References [1]. Pandey A, et al. Anti-arthritic activity of agnuside mediated through the down-regulation of inflammatory mediators and cytokines. Inflamm Res. 2012 Apr;61(4):293-304. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 785.5±60.0 °C at 760 mmHg Melting Point 134-136ºC Molecular Formula C22H26O11 Molecular Weight 466.435 Flash Point 273.5±26.4 °C Exact Mass 466.147522 PSA 175.37000 LogP -1.24 Vapour Pressure 0.0±2.9 mmHg at 25°C Index of Refraction 1.681 InChIKey GLACGTLACKLUJX-QNAXTHAFSA-N SMILES O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1 Storage condition ?20°C |
| Use of | Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1]. Properties Name [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate Synonym More Synonyms Agnuside Biological Activity Description Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Prostaglandin Receptor Research Areas >> Inflammation/Immunology References [1]. Pandey A, et al. Anti-arthritic activity of agnuside mediated through the down-regulation of inflammatory mediators and cytokines. Inflamm Res. 2012 Apr;61(4):293-304. Chemical & Physical Properties Molecular Formula C22H26O11 Exact Mass 466.147522 PSA 175.37000 LogP -1.24 Index of Refraction 1.681 InChIKey GLACGTLACKLUJX-QNAXTHAFSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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