Synonym
MyD88-IN 1; MyD88 IN 1; MyD88 IN-1
IUPAC/Chemical Name
N-(6-methoxypyridin-3-yl)-3-nitro-4-(4-(3-nitrobenzyl)piperazin-1-yl)benzenesulfonamide
InChi Key
LDKDGYNCHLGOIP-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H24N6O7S/c1-36-23-8-5-18(15-24-23)25-37(34,35)20-6-7-21(22(14-20)29(32)33)27-11-9-26(10-12-27)16-17-3-2-4-19(13-17)28(30)31/h2-8,13-15,25H,9-12,16H2,1H3
SMILES Code
O=[N+](C1=CC=CC(CN2CCN(CC2)C3=CC=C(S(=O)(NC4=CN=C(C=C4)OC)=O)C=C3[N+]([O-])=O)=C1)[O-]
Appearance
To be determined
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
528.54
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 |
Chen P, Zhou Y, Li X, Yang J, Zheng Z, Zou Y, Li X, Liao J, Dai J, Xu Y, Yin L, Chen G, Gu J, Ouyang Q, Cho WJ, Tang Q, Liang G. Design, Synthesis, and Bioevaluation of Novel MyD88 Inhibitor c17 against Acute Lung Injury Derived from the Virtual Screen. J Med Chem. 2023 May 25;66(10):6938-6958. doi: 10.1021/acs.jmedchem.3c00359. Epub 2023 May 2. PMID: 37130331.
