CID2858522

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 526736

CAS#: 758679-97-9

Description: CID2858522, also known as ML029, is a potent and selective inhibitor of NF-κB Activation (C50 value of 0.07 μM). CID2858522 specifically inhibits NF-kB activation downstream of protein kinsase C (PKC). CID2858522 may be useful to researchers working in immunology, autoimmune diseases, transplantation and allograft rejection, lymphoid malignancies, immune signaling, and general signal transduction.

Chemical Structure

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CID2858522
CAS# 758679-97-9
Instruction

Theoretical Analysis

MedKoo Cat#: 526736
Name: CID2858522
CAS#: 758679-97-9
Chemical Formula: C28H39N3O3
Exact Mass: 465.30
Molecular Weight: 465.638
Elemental Analysis: C, 72.23; H, 8.44; N, 9.02; O, 10.31

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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

Appearance: 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, 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Pu J, Hedrick M, Diaz P, Divlianska D, Peddibhotla M, Hershberger P, Gosalia
P, Milewski M, Li L, Brown B, Magnuson G, Roth GP, Sergienko E, Suyama E,
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
2011 Nov 21]. Probe Reports from the NIH Molecular Libraries Program [Internet].
Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
Available from http://www.ncbi.nlm.nih.gov/books/NBK126176/
PubMed PMID: 23469385.


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.