ChemicalBook > CAS DataBase List > 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

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

Product 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 No.
883065-90-5
Chemical 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
Synonyms
CS-1070;BI 78D3;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
CBNumber
CB92518966
Molecular Formula
C13H9N5O5S2
Formula Weight
379.37
MOL File
883065-90-5.mol
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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 Property

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
pka
2.76±0.20(Predicted)
form 
powder
color 
tan
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Safety

WGK Germany 
2
HS Code 
2934999090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
420140
Product name
JNK Inhibitor X, BI-78D3
Packaging
5mg
Price
$140
Updated
2023/01/07
Cayman Chemical
Product number
21183
Product name
BI-78D3
Purity
≥98%
Packaging
1mg
Price
$32
Updated
2024/03/01
Cayman Chemical
Product number
21183
Product name
BI-78D3
Purity
≥98%
Packaging
5mg
Price
$117
Updated
2024/03/01
Cayman Chemical
Product number
21183
Product name
BI-78D3
Purity
≥98%
Packaging
10mg
Price
$214
Updated
2024/03/01
Cayman Chemical
Product number
21183
Product name
BI-78D3
Purity
≥98%
Packaging
25mg
Price
$456
Updated
2024/03/01
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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 Chemical Properties,Usage,Production

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.

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 Preparation Products And Raw materials

Raw materials

Preparation Products

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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 Suppliers

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View Lastest Price from 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 manufacturers

Career Henan Chemical Co
Product
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 883065-90-5
Price
US $1.00/KG
Min. Order
1KG
Purity
Min98% HPLC
Supply Ability
g/kg/ton
Release date
2019-12-20

883065-90-5, 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-oneRelated Search:


  • 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
  • BI 78D3
  • 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-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitro-thiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-
  • JNK Inhibitor X, BI-78D3
  • 4-(2,3-Dihydrobenzol[b][1,4]dioxin-6-yl)-5-(5-nitrothiazol-2-ylthio)-4H-1,2,4-triazol-3-ol
  • JNK Inhibitor X, BI-78D3 - CAS 883065-90-5 - Calbiochem
  • 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]-
  • 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)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one
  • CS-1070
  • BI-78D3 >=98% (HPLC)
  • 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,BI-78D3
  • 883065-90-5
  • C13H9N5O5S2