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B3063

Sigma-Aldrich

BI-78D3

≥98% (HPLC)

Synonym(s):

4-(2,3-Dihydrobenzol[b][1,4]dioxin-6-yl)-5-(5-nitrothiazol-2-ylthio)-4H-1,2,4-triazol-3-ol

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About This Item

Empirical Formula (Hill Notation):
C13H9N5O5S2
CAS Number:
883065-90-5
Molecular Weight:
379.37
MDL number:
MFCD12912396
UNSPSC Code:
12352200
PubChem Substance ID:
329773213

Quality Level

100

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.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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