WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 600103
CAS#: 11027-63-7
Description: Agnuside is a chemical compound found in Vitex agnus-castus. Agnuside is the ester of aucubin and p-hydroxybenzoic acid.
MedKoo Cat#: 600103
Name: Agnuside
CAS#: 11027-63-7
Chemical Formula: C22H26O11
Exact Mass: 466.14751
Molecular Weight: 466.44
Elemental Analysis: C, 56.65; H, 5.62; O, 37.73
Synonym: Agnuside.
IUPAC/Chemical 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
InChi Key: GLACGTLACKLUJX-QNAXTHAFSA-N
InChi Code: 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
SMILES Code: O=C(OCC1=C[C@@H](O)[C@@]2([H])[C@]1([H])[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2)C4=CC=C(O)C=C4
Appearance: XXXX solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO.
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 466.44 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Singh PP, Bhunia D, Verma YK, Sidiq T, Khajuria A, Guptha A, Pallavi MP, Vamshi SS, Qazi GN, Kumar HM. Synthesis of novel lipidated iridoid glycosides as vaccine adjuvants: 6-O-palmitoyl Agnuside elicit strong Th1 and Th2 response to ovalbumin in mice. Int Immunopharmacol. 2013 Nov;17(3):593-600. doi: 10.1016/j.intimp.2013.07.018. Epub 2013 Aug 14. PubMed PMID: 23954198.
2: Pandey A, Bani S, Satti NK, Gupta BD, Suri KA. Anti-arthritic activity of agnuside mediated through the down-regulation of inflammatory mediators and cytokines. Inflamm Res. 2012 Apr;61(4):293-304. doi: 10.1007/s00011-011-0410-x. Epub 2012 Jan 8. PubMed PMID: 22228102.
