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JNK-IN-14

CAT: 0804-HY-156182Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-156182Size:1 Each
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Description
JNK-IN-14 is a potent JNK inhibitor with IC50 values of 1.81, 12.7 and 10.5 nM for JNK1, JNK2 and JNK3, respectively. JNK-IN-14 induces early-stage apoptosis. JNK-IN-14 shows cell population arrest at the G2/M phase and slightly inhibits beclin-1 production at K562 leukemia cells relative to SP600125 , showing higher inhibitory ability.[1]
CAS Number
2991432-56-3
UNSPSC
12352005
Target
Cytochrome P450; JNK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway; Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/jnk-in-14.html
Solubility
10 mM in DMSO
Smiles
CC(C)(N1C=C(C(C2=CC(O)=CC=C2)=N1)C3=CC=NC(NCCCNS(=O)(C4=CC=C(C=C4)O)=O)=C3)C
Molecular Formula
C27H31N5O4S
Molecular Weight
521.63
References & Citations
[1] Karim I Mersal, et al. Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.Eur J Med Chem. 2023 Sep 15:261:115779.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP2D6; CYP3A4; JNK1; JNK2; JNK3

Chemical Information

Jnk-IN-14
CAS Number2991432-56-3
PubChem CID165411755
IUPAC NameN-[3-[[4-[1-tert-butyl-3-(3-hydroxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]propyl]-4-hydroxybenzenesulfonamide
Molecular FormulaC27H31N5O4S
Molecular Weight521.6
XLogP4.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity809
SMILES
CC(C)(C)N1C=C(C(=N1)C2=CC(=CC=C2)O)C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C27H31N5O4S/c1-27(2,3)32-18-24(26(31-32)20-6-4-7-22(34)16-20)19-12-15-29-25(17-19)28-13-5-14-30-37(35,36)23-10-8-21(33)9-11-23/h4,6-12,15-18,30,33-34H,5,13-14H2,1-3H3,(H,28,29)
InChIKey
DXOOEWGOXWQIJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jnk-IN-14
CAS: 2991432-56-3
CID: 165411755
Formula: C27H31N5O4S
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP34.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass521.20967566
Monoisotopic Mass521.20967566
Topological Polar Surface Area138 Ų
Heavy Atom Count37
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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