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

IQ-1S
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 526823

CAS#: 23146-22-7

Description: 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

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 526823
Name: IQ-1S
CAS#: 23146-22-7
Chemical Formula: C15H9N3O
Exact Mass: 247.07
Molecular Weight: 247.257
Elemental Analysis: C, 72.87; H, 3.67; N, 16.99; O, 6.47

Price and Availability

Size	Price	Availability
25mg	USD 150
50mg	USD 250
100mg	USD 450
200mg	USD 750
500mg	USD 1450	2 Weeks
1g	USD 2450	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: 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

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Product Data:

Product Data

Instruction:

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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/

Solubility Data

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

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:	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.
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.

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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.

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