All Photos(1)
Synonym(s):
4-(2,3-Dihydrobenzol[b][1,4]dioxin-6-yl)-5-(5-nitrothiazol-2-ylthio)-4H-1,2,4-triazol-3-ol
Empirical Formula (Hill Notation):
C13H9N5O5S2
CAS Number:
Molecular Weight:
379.37
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
Recommended Products
Quality Level
Assay
≥98% (HPLC)
form
powder
storage condition
desiccated
color
tan
solubility
DMSO: >10 mg/mL
storage temp.
−20°C
SMILES string
Oc1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c3ccc4OCCOc4c3
InChI
1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
InChI key
QFRLDZGQEZCCJZ-UHFFFAOYSA-N
Biochem/physiol Actions
BI-78D3 is a substrate competitive inhibitor of JNK. JNK′s binds to JNK-interacting protein-1 (JIP1) (scaffolding protein) through high affinity D-domain on JIP1. This interaction is needed to place JNK next to target protein. BI-78D3 is a mimetic of a critical peptide structure of JIP1 which binds to JNK away from ATP binding domain preventing JIP1 JNK interaction thus acting as a substrate competitive inhibitor both in vitro and in vivo. The compound represents a growing number of modern kinase inhibitors acting at protein protein interacting areas (scaffolding) rather than ATP binding pockets.
WGK
WGK 2
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Regulatory Information
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