Synonym
EM 163; EM-163; EM163;
IUPAC/Chemical Name
1-methyl-2,5-bis(((S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl)(3-phenylpropyl)carbamoyl)pyridin-1-ium iodide
InChi Key
WJCJDZIXEVJIKZ-OFUZFLEOSA-M
InChi Code
InChI=1S/C44H60N5O4.HI/c1-33(2)39(43(52)46-26-12-13-27-46)48(30-16-22-35-18-8-6-9-19-35)41(50)37-24-25-38(45(5)32-37)42(51)49(31-17-23-36-20-10-7-11-21-36)40(34(3)4)44(53)47-28-14-15-29-47;/h6-11,18-21,24-25,32-34,39-40H,12-17,22-23,26-31H2,1-5H3;1H/q+1;/p-1/t39-,40-;/m0./s1
SMILES Code
CC(C)[C@H](N(CCCC1=CC=CC=C1)C(C2=C[N+](C)=C(C=C2)C(N(CCCC3=CC=CC=C3)[C@@H](C(C)C)C(N4CCCC4)=O)=O)=O)C(N5CCCC5)=O.[I-]
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
85.0 |
100.00 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
849.90
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: Zhang Q, Yang B, Li F, Liu M, Lin S, Wang J, Xue Y, Zhu H, Sun W, Hu Z, Zhang Y. Mycophenolic Acid Derivatives with Immunosuppressive Activity from the Coral- Derived Fungus Penicillium bialowiezense. Mar Drugs. 2018 Jul 7;16(7):230. doi: 10.3390/md16070230. PMID: 29986508; PMCID: PMC6070797.
2: Lucas K, Maes M. Role of the Toll Like receptor (TLR) radical cycle in chronic inflammation: possible treatments targeting the TLR4 pathway. Mol Neurobiol. 2013 Aug;48(1):190-204. doi: 10.1007/s12035-013-8425-7. Epub 2013 Feb 26. PMID: 23436141; PMCID: PMC7091222.
3: Kissner TL, Ruthel G, Alam S, Mann E, Ajami D, Rebek M, Larkin E, Fernandez S, Ulrich RG, Ping S, Waugh DS, Rebek J Jr, Saikh KU. Therapeutic inhibition of pro-inflammatory signaling and toxicity to staphylococcal enterotoxin B by a synthetic dimeric BB-loop mimetic of MyD88. PLoS One. 2012;7(7):e40773. doi: 10.1371/journal.pone.0040773. Epub 2012 Jul 27. PMID: 22848400; PMCID: PMC3407147.
