IQ-1S | CAS#23146-22-7 | JNK inhibitor

MedKoo Cat#: 526823 | Name: IQ-1S

Description:

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

IQ-1S is a potent and selective c-Jun N-Terminal Kinase Inhibitor. IQ-1S inhibits murine delayed-type hypersensitivity. IQ-1S is highly specific for JNK and that its neutral form is the most abundant species at physiologic pH. IQ-1S can reduce inflammation and cartilage loss associated with CIA and can serve as a small-molecule modulator for mechanistic studies of JNK function in rheumatoid arthritis.

Chemical Structure

IQ-1S

CAS#23146-22-7

Theoretical Analysis

MedKoo Cat#: 526823

Name: IQ-1S

CAS#: 23146-22-7

Chemical Formula: C15H9N3O

Exact Mass: 247.0746

Molecular Weight: 247.26

Elemental Analysis: C, 72.87; H, 3.67; N, 16.99; O, 6.47

Price and Availability

Size	Price	Availability
25mg	USD 150.00	2 Weeks
50mg	USD 250.00	2 Weeks
100mg	USD 450.00	2 Weeks
200mg	USD 750.00	2 Weeks
500mg	USD 1,450.00	2 Weeks
1g	USD 2,450.00	2 Weeks

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Related CAS #

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Synonym

IQ-1S; IQ1S; IQ 1S

IUPAC/Chemical Name

11H-Indeno[1,2-b]quinoxalin-11-one oxime

InChi Key

SZHHSFHOIDCNLD-NBVRZTHBSA-N

InChi Code

InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14+

SMILES Code

O/N=C1C2=C(C3=NC4=CC=CC=C4N=C3\1)C=CC=C2

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

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

IQ-1S free acid is a prospective inhibitor of NF-κB/activating protein 1 (AP-1) activity with an IC50 of 2.3±0.41 μM. IQ-1S free acid has binding affinity (Kd values) in the nanomolar range for all three JNKs with Kds of 100 nM, 240 nM, and 360 nM for JNK3, JNK1, and JNK2, respectively.

In vitro activity:

IQ-1S is a JNK inhibitor with Kd = 87, 360, and 390 nM for JNK3, JNK2, and JNK1, respectively. It demonstrated an IC50 = 6.3 μM against SARS-CoV-2 in a Vero E6 cell CPE assay. Reference: Proc Natl Acad Sci U S A. 2021 Sep 28;118(39):e2105070118. https://pubmed.ncbi.nlm.nih.gov/34526388/

In vivo activity:

Administration of IQ-1S at a dose of 25 mg/kg reduced JNK-dependent phosphorylation of c-Jun by 20%. These findings suggest that IQ-1S inhibits JNK enzymatic activity in the hippocampus and protects against stroke injury when administered in the therapeutic and prophylactic regimen in the rat model of FCI. Reference: Cells. 2020 Aug 8;9(8):1860. https://pubmed.ncbi.nlm.nih.gov/32784475/

	Solvent	mg/mL	mM
Solubility
	DMF:PBS (pH 7.2) (1:2)	0.3	1.21
	DMSO	30.3	122.68
	Ethanol	1.0	4.04

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 247.26 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

Formulation protocol:

1. Jin W, Stokes JM, Eastman RT, Itkin Z, Zakharov AV, Collins JJ, Jaakkola TS, Barzilay R. Deep learning identifies synergistic drug combinations for treating COVID-19. Proc Natl Acad Sci U S A. 2021 Sep 28;118(39):e2105070118. doi: 10.1073/pnas.2105070118. PMID: 34526388; PMCID: PMC8488647. 2. Schepetkin IA, Kirpotina LN, Hammaker D, Kochetkova I, Khlebnikov AI, Lyakhov SA, Firestein GS, Quinn MT. Anti-Inflammatory Effects and Joint Protection in Collagen-Induced Arthritis after Treatment with IQ-1S, a Selective c-Jun N-Terminal Kinase Inhibitor. J Pharmacol Exp Ther. 2015 Jun;353(3):505-16. doi: 10.1124/jpet.114.220251. Epub 2015 Mar 17. PMID: 25784649; PMCID: PMC4429673. 3. Plotnikov MB, Chernysheva GA, Smolyakova VI, Aliev OI, Trofimova ES, Sherstoboev EY, Osipenko AN, Khlebnikov AI, Anfinogenova YJ, Schepetkin IA, Atochin DN. Neuroprotective Effects of a Novel Inhibitor of c-Jun N-Terminal Kinase in the Rat Model of Transient Focal Cerebral Ischemia. Cells. 2020 Aug 8;9(8):1860. doi: 10.3390/cells9081860. PMID: 32784475; PMCID: PMC7464312. 4. Atochin DN, Schepetkin IA, Khlebnikov AI, Seledtsov VI, Swanson H, Quinn MT, Huang PL. A novel dual NO-donating oxime and c-Jun N-terminal kinase inhibitor protects against cerebral ischemia-reperfusion injury in mice. Neurosci Lett. 2016 Apr 8;618:45-49. doi: 10.1016/j.neulet.2016.02.033. Epub 2016 Feb 26. PMID: 26923672; PMCID: PMC5491393.

In vitro protocol:

In vivo protocol:

1. Plotnikov MB, Chernysheva GA, Smolyakova VI, Aliev OI, Trofimova ES, Sherstoboev EY, Osipenko AN, Khlebnikov AI, Anfinogenova YJ, Schepetkin IA, Atochin DN. Neuroprotective Effects of a Novel Inhibitor of c-Jun N-Terminal Kinase in the Rat Model of Transient Focal Cerebral Ischemia. Cells. 2020 Aug 8;9(8):1860. doi: 10.3390/cells9081860. PMID: 32784475; PMCID: PMC7464312. 2. Atochin DN, Schepetkin IA, Khlebnikov AI, Seledtsov VI, Swanson H, Quinn MT, Huang PL. A novel dual NO-donating oxime and c-Jun N-terminal kinase inhibitor protects against cerebral ischemia-reperfusion injury in mice. Neurosci Lett. 2016 Apr 8;618:45-49. doi: 10.1016/j.neulet.2016.02.033. Epub 2016 Feb 26. PMID: 26923672; PMCID: PMC5491393.

1: Atochin DN, Schepetkin IA, Khlebnikov AI, Seledtsov VI, Swanson H, Quinn MT, Huang PL. A novel dual NO-donating oxime and c-Jun N-terminal kinase inhibitor protects against cerebral ischemia-reperfusion injury in mice. Neurosci Lett. 2016 Apr 8;618:45-9. doi: 10.1016/j.neulet.2016.02.033. Epub 2016 Feb 26. PubMed PMID: 26923672. 2: Schepetkin IA, Kirpotina LN, Hammaker D, Kochetkova I, Khlebnikov AI, Lyakhov SA, Firestein GS, Quinn MT. Anti-Inflammatory Effects and Joint Protection in Collagen-Induced Arthritis after Treatment with IQ-1S, a Selective c-Jun N-Terminal Kinase Inhibitor. J Pharmacol Exp Ther. 2015 Jun;353(3):505-16. doi: 10.1124/jpet.114.220251. Epub 2015 Mar 17. PubMed PMID: 25784649; PubMed Central PMCID: PMC4429673.