IUPAC/Chemical Name
3-((2S,5R,6R)-6-((4R,6S,Z)-4,6-dimethyloct-2-en-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2(1H)-one
InChi Key
FVYDVAOTXPELMH-DBCNXVKXSA-N
InChi Code
InChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15-/t17-,18+,19+,24-,27+/m0/s1
SMILES Code
O=C1C([C@@H]2CC[C@@H](C)[C@H](/C(C)=C\[C@H](C)C[C@@H](C)CC)O2)=C(O)C(C3=CC=C(O)C=C3)=CN1C
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
>3 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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
453.62
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 |
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6: Jayasinghe L, Abbas HK, Jacob MR, Herath WH, Nanayakkara NP. N-Methyl-4-hydroxy-2-pyridinone analogues from Fusarium oxysporum. J Nat Prod. 2006 Mar;69(3):439-42. PubMed PMID: 16562855; PubMed Central PMCID: PMC2564868.
7: Stahl M, Schopfer U, Frenking G, Hoffmann RW. Assignment of Relative Configuration to Acyclic Compounds Based on (13)C NMR Shifts. A Density Functional and Molecular Mechanics Study. J Org Chem. 1996 Nov 15;61(23):8083-8088. PubMed PMID: 11667793.
