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Chemical structure of JNK-IN-8

GC13841

JNK-IN-8

Also known as 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

JNK-IN-8 is the first irreversible JNK inhibitor that acts on JNK1, JNK2, and JNK3 with high specificity, with IC50 values of 4·7 nM, 18·7 nM, and 1 nM in the A375 cell line, respectively

ChemicalCAS1410880-22-6MW507.59FormulaC29H29N7O2
CAS number
1410880-22-6
Molecular weight
507.59
Formula
C29H29N7O2
Solubility
≥ 25·4 mg/mL in DMSO, ≥ 9·24 mg/mL in EtOH with ultrasonic and warming
InChIKey
GJFCSAPFHAXMSF-UXBLZVDNSA-N
Catalogue number
GC13841
Brand
GLPBIO
Computed properties PubChem CID 57340686 · XLogP 3.3 · TPSA 112 Ų · H-bond donors 3
XLogP
3.3
TPSA
112 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38

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

Computed descriptors from PubChem (CID 57340686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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