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ChemicalBook--->CAS DataBase List--->883065-90-5

883065-90-5

883065-90-5 Structure

883065-90-5 Structure
IdentificationBack Directory
[Name]

4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one
[CAS]

883065-90-5
[Synonyms]

BI 78D3
CS-1070
BI-78D3 >=98% (HPLC)
JNK Inhibitor X, BI-78D3
JNK Inhibitor X, BI-78D3 - CAS 883065-90-5 - Calbiochem
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one
4-(2,3-Dihydrobenzol[b][1,4]dioxin-6-yl)-5-(5-nitrothiazol-2-ylthio)-4H-1,2,4-triazol-3-ol
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitro-thiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitro-thiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-
[Molecular Formula]

C13H9N5O5S2
[MDL Number]

MFCD01313575
[MOL File]

883065-90-5.mol
[Molecular Weight]

379.37
Chemical PropertiesBack Directory
[density ]

1.92±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[solubility ]

DMSO: >10mg/mL
[form ]

powder
[pka]

2.76±0.20(Predicted)
[color ]

tan
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P301+P312-P302+P352-P305+P351+P338
[WGK Germany ]

2
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

BI-78D3 is an inhibitor of JNK mediated signaling. Molecular docking studies on JNK inhibitors at allosteric JNK-JIP interaction site. JNK inhibition by BI-78D3 covalent binding to JNK at Cys163 or displacement of 2-mercapto-5-nitrothiazole, or addition of BI-78D3 oxidation product. A therapeutic target of the vascular JNK pathway which improves retinal endothelial vasodilator function during early diabetes.
[Definition]

ChEBI: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one is an aryl sulfide.
[Biological Activity]

bi-78d3 is a substrate competitive inhibitor of jnk inhibitor [2].jnk is a member of the mapk family. jnk is a stress-activated protein kinase that modulates pathways implicated in a variety of disease states. non-motoric jnk functions may differ between cell types and organs. the jnk is involved in a1-adrenoceptor-mediated contraction of prostate smooth muscle. for non-malignant, epithelial human prostate cells, jnk activation not only has the function of pro-apoptotic and antiproliferative but also related with jnk-dependent survival.[1]bi-78d3 is competitive with atf2 for binding to jnk1 with an apparent ki value of 200 nm. in addition, it has been reported that bi-78d3 does not inhibit the phosphorylation of a short peptide substrate lacking a d-domain. this confirms that bi-78d3 is substrate competitive.[2]bi-78d3 inhibits both noradrenaline- and phenylephrine-induced contractions. then it prevents α1-adrenoceptor-mediated contraction of prostate tissue. as an effective jnk inhibitor, bi-78d3 has the ability of abrogating cona-induced liver damage and restoring insulin sensitivity. [1,2]
[storage]

Store at +4°C
[References]

[1] strittmatter f1, walther s, gratzke c, etal. , inhibition of adrenergic human prostate smooth muscle contraction by the inhibitors of c-jun n-terminal kinase, sp600125 and bi-78d3. br j pharmacol. 2012 jul;166(6):1926-35.
[2] stebbins jl, de sk, machleidt t,etal. , identification of a new jnk inhibitor targeting the jnk-jip interaction site. proc natl acad sci u s a. 2008 oct 28;105(43):16809-13.
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