JNK-IN-7 | CAS# 1408064-71-0 | Novel potent JNK inhibitor

JNK-IN-7
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 581024

CAS#: 1408064-71-0

Description: JNK-IN-7 is a relatively selective JNKs inhibitor(IC50= 1.54/1.99/0.75 for JNK1/2/3); also bound to IRAK1, PIK3C3, PIP5K3 and PIP4K2C.

Chemical Structure

JNK-IN-7

CAS# 1408064-71-0

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 581024
Name: JNK-IN-7
CAS#: 1408064-71-0
Chemical Formula: C28H27N7O2
Exact Mass: 493.22
Molecular Weight: 493.571
Elemental Analysis: C, 68.14; H, 5.51; N, 19.87; O, 6.48

Price and Availability

Size	Price	Availability
10mg	USD 250	2 Weeks
25mg	USD 450	2 Weeks
50mg	USD 750	2 Weeks
100mg	USD 1250	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: JNK-IN-7; JNK inhibitor;JNKIN7; JNK IN 7; JNK-IN-7.

IUPAC/Chemical Name: 3-[[(E)-4-(Dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

InChi Key: RADRIIWGHYFWPP-WEVVVXLNSA-N

InChi Code: InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+

SMILES Code: O=C(NC1=CC=C(NC2=NC=CC(C3=CC=CN=C3)=N2)C=C1)C4=CC=CC(NC(/C=C/CN(C)C)=O)=C4

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:	JNK-IN-7 is a potent JNK inhibitor with IC50 of 1.5, 2 and 0.7 nM for JNK1, JNK2 and JNK3, respectively.
In vitro activity:	As shown in Fig. 5B, co-incubation of JNK signaling inhibitor (JNK-IN-7) significantly suppressed the down-regulation of the DMT1 mRNA expression (P < 0.05), while TNF alone or co-incubation with NF-κB and caspase-3/8 inhibitors significantly down-regulated DMT1 mRNA expression compared to controls (P < 0.05). Thus, these results prove that TNF could down-regulate DMT1 expression through the JNK pathway. Reference: Sci Rep. 2015 Nov 17;5:16344. https://pubmed.ncbi.nlm.nih.gov/26572590/
In vivo activity:	TBD

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	10.0	20.26
	DMSO	31.1	63.03
	DMSO:PBS (pH 7.2) (1:2)	0.3	0.61

Preparing Stock Solutions

The following data is based on the product molecular weight 493.57 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. Wu W, Song Y, He C, Liu C, Wu R, Fang L, Cong Y, Miao Y, Liu Z. Divalent metal-ion transporter 1 is decreased in intestinal epithelial cells and contributes to the anemia in inflammatory bowel disease. Sci Rep. 2015 Nov 17;5:16344. doi: 10.1038/srep16344. PMID: 26572590; PMCID: PMC4648093. 2. Zhang T, Inesta-Vaquera F, Niepel M, Zhang J, Ficarro SB, Machleidt T, Xie T, Marto JA, Kim N, Sim T, Laughlin JD, Park H, LoGrasso PV, Patricelli M, Nomanbhoy TK, Sorger PK, Alessi DR, Gray NS. Discovery of potent and selective covalent inhibitors of JNK. Chem Biol. 2012 Jan 27;19(1):140-54. doi: 10.1016/j.chembiol.2011.11.010. PMID: 22284361; PMCID: PMC3270411.
In vitro protocol:	1. Wu W, Song Y, He C, Liu C, Wu R, Fang L, Cong Y, Miao Y, Liu Z. Divalent metal-ion transporter 1 is decreased in intestinal epithelial cells and contributes to the anemia in inflammatory bowel disease. Sci Rep. 2015 Nov 17;5:16344. doi: 10.1038/srep16344. PMID: 26572590; PMCID: PMC4648093. 2. Zhang T, Inesta-Vaquera F, Niepel M, Zhang J, Ficarro SB, Machleidt T, Xie T, Marto JA, Kim N, Sim T, Laughlin JD, Park H, LoGrasso PV, Patricelli M, Nomanbhoy TK, Sorger PK, Alessi DR, Gray NS. Discovery of potent and selective covalent inhibitors of JNK. Chem Biol. 2012 Jan 27;19(1):140-54. doi: 10.1016/j.chembiol.2011.11.010. PMID: 22284361; PMCID: PMC3270411.
In vivo protocol:	TBD

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