883065-90-5 Usage
Description
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 is a complex organic compound with a unique molecular structure that features a 1,4-benzodioxin core, a 1,2,4-triazole ring, and a thiazolylthio group. 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 has potential applications in various fields due to its chemical properties and interactions with biological targets.
Uses
Used in Pharmaceutical Industry:
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 is used as a JNK inhibitor for the development of therapeutic agents targeting the vascular JNK pathway. Its ability to improve retinal endothelial vasodilator function during early diabetes makes it a promising candidate for treating diabetic complications.
Used in Molecular Docking Studies:
In the field of computational chemistry, 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 is utilized in molecular docking studies to investigate its interactions with the allosteric JNK-JIP binding site. This helps researchers understand its inhibitory mechanism and optimize its structure for better efficacy.
Used in Drug Design and Development:
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 serves as a valuable template in drug design and development, particularly for targeting the JNK signaling pathway. Its unique chemical features allow for the exploration of novel covalent binding strategies or the design of displacement agents that can modulate JNK activity.
Overall, 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 is a versatile molecule with potential applications in the pharmaceutical industry, molecular docking studies, and drug design and development, particularly for targeting the JNK pathway and improving vasodilator function in early diabetes.
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]
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.
Check Digit Verification of cas no
The CAS Registry Mumber 883065-90-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,3,0,6 and 5 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 883065-90:
(8*8)+(7*8)+(6*3)+(5*0)+(4*6)+(3*5)+(2*9)+(1*0)=195
195 % 10 = 5
So 883065-90-5 is a valid CAS Registry Number.
InChI:InChI=1/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)
