JNK-IN-8 - Moligand™, ≥98% , Inhibitor of mitogen-activated protein kinase 10;Inhibitor of mitogen-activated protein kinase 8;Inhibitor of mitogen-activated protein kinase 9, CAS No.1410880-22-6, Inhibitor of mitogen-activated protein kinase 10;Inhibitor of mitogen-activated protein kinase 8;Inhibitor of mitogen-activated protein kinase 9

CAS: 1410880-22-6 Cat. No.: J125321 Molecular Weight: 507.59

GRADE & PURITY Moligand™, ≥98%

Synonyms

JNK Inhibitor XVI | CHEBI:124918 | 3-(4-(dimethylamino)but-2-enamido)-N-(3-methyl-4-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide | 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | 3

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

JNK-IN-8 is the first irreversible JNK inhibitor for JNK1, JNK2 and JNK4 with IC50 of 4.7 nM, 18.7 nM and 1 nM, >10-fold selectivity against MNK2, Fms and no inhibition to c-Kit, Met, PDGFRβin A375 cell line.
A selective and irreversible type 2 inhibitor of JNK

Specifications

Synonyms

JNK Inhibitor XVI | CHEBI:124918 | 3-(4-(dimethylamino)but-2-enamido)-N-(3-methyl-4-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide | 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | 3

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

JNK-IN-8 is a potent, selective and irreversible inhibitor of JNK1/2/3 that inhibits phosphorylation of c-Jun. JNK-IN-8 forms covalent bonds with a conserved cysteine residue.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase 10;Inhibitor of mitogen-activated protein kinase 8;Inhibitor of mitogen-activated protein kinase 9

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771553
• Canonical Smiles: CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C=CCN(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4
• IUPAC Name: 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• InChIKey: GJFCSAPFHAXMSF-UXBLZVDNSA-N
• INCHI: 1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
• Isomeric SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/CN(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4
• Molecular Weight: 507.59
• Reaxy-Rn: 22356001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22356001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Acylaminobenzoic acid and derivatives Pyridinylpyrimidines Benzamides Diaminotoluenes Aniline and substituted anilines N-arylamides Benzoyl derivatives Aminopyrimidines and derivatives Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Secondary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Acylaminobenzoic acid or derivatives - Pyridinylpyrimidine - Benzamide - Benzoic acid or derivatives - Diaminotoluene - Benzoyl - Aniline or substituted anilines - N-arylamide - Aminopyrimidine - Toluene - Pyridine - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAPK10 Tchem Mitogen-activated protein kinase 10 (4 Activities)

Discover Target: MAPK10

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAPK8 Tchem Mitogen-activated protein kinase 8 (4 Activities)

Discover Target: MAPK8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAPK9 Tchem Mitogen-activated protein kinase 9 (4 Activities)

Discover Target: MAPK9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

Discover Target: MAPK9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)

Discover Target: MAPK10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK2 Tchem Serine/threonine-protein kinase NEK2 (3514 Activities)

Discover Target: NEK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK9 Tchem Serine/threonine-protein kinase NEK9 (1479 Activities)

Discover Target: NEK9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK6 Tchem Serine/threonine-protein kinase NEK6 (1986 Activities)

Discover Target: NEK6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U2OS (164939 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK7 Tchem Serine/threonine-protein kinase NEK7 (1804 Activities)

Discover Target: NEK7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK5 Tchem Serine/threonine-protein kinase Nek5 (349 Activities)

Discover Target: NEK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK4 Tchem Serine/threonine-protein kinase Nek4 (980 Activities)

Discover Target: NEK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK1 Tchem Serine/threonine-protein kinase Nek1 (1886 Activities)

Discover Target: NEK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK3 Tchem Serine/threonine-protein kinase Nek3 (902 Activities)

Discover Target: NEK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NEK11 Tchem Serine/threonine-protein kinase Nek11 (645 Activities)

Discover Target: NEK11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK-293T (167025 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO mg/mL Water mg/mL Ethanol mg/mL
• Sensitivity: sensitive to light
• Refractive Index: 1.69
• Molecular Weight: 507.600 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 507.238 Da
• Monoisotopic Mass: 507.238 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 791.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Shuai Yang, Xinyao Qiu, Yingcheng Yang, Jing Wu, Shan Wang, Bo Zheng, Jianmin Wu, Tao Zhou, Yangqianwen Zhang, Mixue Bai, Shuowu Liu, Zihan Zhao, Yani Zhang, Yixian Wang, Jinxia Bao, Mengye Wu, Dongdong Xue, Meiyu Bao, Ji Hu, Siyun Shen, Hongyang Wang, Lei Chen.  (2025)  LTA4H improves the tumor microenvironment and prevents HCC progression via targeting the HNRNPA1/LTBP1/TGF-β axis.  Cell Reports Medicine,      [PMID:40056904] [10.1016/j.xcrm.2025.102000]

2. Peng Zhang, Jianfeng Zhong, Ting Zhou, Depei Jiang, Zijing Wang, Meifang Ye, Lekun Fang, Huizhen Xiong, Honglei Chen.  (2026)  SKA2 promotes gastric cancer progression by regulating glutathione metabolism.  iScience,  29  (4):   [PMID:] [10.1016/j.isci.2026.115202]