WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407163
CAS#: 873225-46-8 (free base)
Description: IKK-16 is a potent and slective inhibitor of IκB kinase (IKK) (IC50 values are 40, 70 and 200 nM for IKKβ, IKK complex and IKKα respectively). KK-16 inhibits TNFα-stimulated expression of the adhesion molecules E-selectin, ICAM-1, and VCAM-1 in HUVEC cells.
MedKoo Cat#: 407163
Name: IKK-16 (free base)
CAS#: 873225-46-8 (free base)
Chemical Formula: C28H29N5OS
Exact Mass: 483.20928
Molecular Weight: 483.63
Elemental Analysis: C, 69.54; H, 6.04; N, 14.48; O, 3.31; S, 6.63
Related CAS #: 873225-46-8 (free base) 1186195-62-9 (HCl)
Synonym: IKK-16; IKK 16; IKK16; IKK-16
IUPAC/Chemical Name: (4-((4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
InChi Key: BWZJBXAPRCVCKQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
SMILES Code: O=C(C1=CC=C(NC2=NC=CC(C3=CC4=CC=CC=C4S3)=N2)C=C1)N5CCC(N6CCCC6)CC5
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
The following data is based on the product molecular weight 483.63 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: Tandon M, Johnson J, Li Z, Xu S, Wipf P, Wang QJ. New pyrazolopyrimidine inhibitors of protein kinase d as potent anticancer agents for prostate cancer cells. PLoS One. 2013 Sep 23;8(9):e75601. doi: 10.1371/journal.pone.0075601. PubMed PMID: 24086585; PubMed Central PMCID: PMC3781056.
2: Mehmood T, Maryam A, Zhang H, Li Y, Khan M, Ma T. Deoxyelephantopin induces apoptosis in HepG2 cells via oxidative stress, NF-κB inhibition and mitochondrial dysfunction. Biofactors. 2016 Sep 15. doi: 10.1002/biof.1324. [Epub ahead of print] PubMed PMID: 27628030.
3: Shu YS, Tao W, Miao QB, Zhu YB, Yang YF. Improvement of ventilation-induced lung injury in a rodent model by inhibition of inhibitory κB kinase. J Trauma Acute Care Surg. 2014 Jun;76(6):1417-24. doi: 10.1097/TA.0000000000000229. PubMed PMID: 24854310.
4: Coldewey SM, Rogazzo M, Collino M, Patel NS, Thiemermann C. Inhibition of IκB kinase reduces the multiple organ dysfunction caused by sepsis in the mouse. Dis Model Mech. 2013 Jul;6(4):1031-42. doi: 10.1242/dmm.012435. PubMed PMID: 23649820; PubMed Central PMCID: PMC3701222.
5: Ansbro MR, Shukla S, Ambudkar SV, Yuspa SH, Li L. Screening compounds with a novel high-throughput ABCB1-mediated efflux assay identifies drugs with known therapeutic targets at risk for multidrug resistance interference. PLoS One. 2013 Apr 10;8(4):e60334. doi: 10.1371/journal.pone.0060334. PubMed PMID: 23593196; PubMed Central PMCID: PMC3622673.
6: Chen J, Kieswich JE, Chiazza F, Moyes AJ, Gobbetti T, Purvis GS, Salvatori DC, Patel NS, Perretti M, Hobbs AJ, Collino M, Yaqoob MM, Thiemermann C. IκB Kinase Inhibitor Attenuates Sepsis-Induced Cardiac Dysfunction in CKD. J Am Soc Nephrol. 2016 May 6. pii: ASN.2015060670. [Epub ahead of print] PubMed PMID: 27153924.
7: Shu Y, Liu Y, Li X, Cao L, Yuan X, Li W, Cao Q. Aspirin-Triggered Resolvin D1 Inhibits TGF-β1-Induced EndMT through Increasing the Expression of Smad7 and Is Closely Related to Oxidative Stress. Biomol Ther (Seoul). 2016 Mar 1;24(2):132-9. doi: 10.4062/biomolther.2015.088. PubMed PMID: 26869523; PubMed Central PMCID: PMC4774493.
8: Dobritsa SV, Kuok IT, Nguyen H, Webster JC, Spragg AM, Morley T, Carr GJ. Development of a high-throughput cell-based assay for identification of IL-17 inhibitors. J Biomol Screen. 2013 Jan;18(1):75-84. doi: 10.1177/1087057112459350. PubMed PMID: 22983163.
Related CAS#
873225-46-8 ( IKK-16 free base)
1186195-62-9 ( IKK-16 HCl salt).
