IKK-16 HCl
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MedKoo CAT#: 407298

CAS#: 1186195-62-9 (HCl)

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.


Chemical Structure

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IKK-16 HCl
CAS# 1186195-62-9 (HCl)

Theoretical Analysis

MedKoo Cat#: 407298
Name: IKK-16 HCl
CAS#: 1186195-62-9 (HCl)
Chemical Formula: C28H30ClN5OS
Exact Mass:
Molecular Weight: 520.092
Elemental Analysis: C, 64.66; H, 5.81; Cl, 6.82; N, 13.47; O, 3.08; S, 6.16

Price and Availability

Size Price Availability Quantity
100.0mg USD 450.0 2 Weeks
200.0mg USD 750.0 2 Weeks
500.0mg USD 1550.0 2 Weeks
1.0g USD 2750.0 2 Weeks
2.0g USD 4250.0 2 Weeks
5.0g USD 6950.0 2 Weeks
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Related CAS #: 873225-46-8 (free base)   1186195-62-9 (HCl)    

Synonym: IKK-16; IKK 16; IKK16; IKK-16 HCl

IUPAC/Chemical Name: (4-((4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone hydrochloride

InChi Key: XFVDIVQCZWDBCW-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H29N5OS.ClH/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);1H

SMILES Code: O=C(C1=CC=C(NC2=NC=CC(C3=CC4=CC=CC=C4S3)=N2)C=C1)N5CCC(N6CCCC6)CC5.[H]Cl

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

Preparing Stock Solutions

The following data is based on the product molecular weight 520.092 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

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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.

IKK-16 HCl

100.0mg / USD 450.0


Additional Information

Related CAS#
873225-46-8 ( IKK-16 free base)
1186195-62-9 ( IKK-16 HCl salt).