Synonym
CID2858522; CID-2858522; CID 2858522; ML029; ML-029; ML 029.
IUPAC/Chemical Name
1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]-ethanone
InChi Key
CYCGGKILBWERDJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H39N3O3/c1-17-12-22-23(13-18(17)2)31(26(30-22)29-10-9-11-32)16-24(33)19-14-20(27(3,4)5)25(34)21(15-19)28(6,7)8/h12-15,32,34H,9-11,16H2,1-8H3,(H,29,30)
SMILES Code
CC1=C(C)C=C2N=C(NCCCO)N(CC(C3=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C3)=O)C2=C1
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, not in water
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
465.64
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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Sugarman E, Nguyen K, Mehta A, Vasile S, Su Y, Shi S, Stonich D, Nguyen H, Zeng
FY, Novo AM, Vicchiarelli M, Diwan J, Chung TDY, Wimer C, Correa RG, Pinkerton
AB, Reed JC. B-cell Specific Inhibitors of NF-κB Activation. 2011 Mar 31 [updated
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2: Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A, Vicchiarelli M, Su
Y, Okolotowicz KJ, Cashman JR, Reed JC, Roth GP. Inhibition of protein kinase
C-driven nuclear factor-kappaB activation: synthesis, structure-activity
relationship, and pharmacological profiling of pathway specific benzimidazole
probe molecules. J Med Chem. 2010 Jun 24;53(12):4793-7. doi: 10.1021/jm1000248.
PubMed PMID: 20481485; PubMed Central PMCID: PMC2887059.
