77086-31-8 Usage
Chemical Class
Triazole derivatives
Explanation
1H-1,2,4-Triazole, 3-phenyl-5-(2-propenylthio)belongs to the class of triazole derivatives, which are heterocyclic organic compounds containing a triazole ring.
Explanation
The compound has a triazole ring as its core structure, with a phenyl group attached at the 3rd position and a propenylthio group at the 5th position.
3. Heterocyclic Organic Compound
Explanation
As a triazole derivative, it is a heterocyclic organic compound, meaning it contains a ring of atoms with at least one being a non-carbon atom.
Explanation
The compound has been explored for its potential use in various fields, including the development of pharmaceuticals, agrochemicals, and materials with specific properties.
Explanation
Studies have shown that 1H-1,2,4-Triazole, 3-phenyl-5-(2-propenylthio)possesses antimicrobial, antifungal, and anticancer properties, making it a potential candidate for further research and development in the medical field.
Explanation
The compound has been investigated for its potential use as a building block in the synthesis of other organic compounds, which could have various applications in different industries.
Explanation
The molecular formula of 1H-1,2,4-Triazole, 3-phenyl-5-(2-propenylthio)is C12H11N3S, indicating the number of carbon, hydrogen, nitrogen, and sulfur atoms present in the molecule.
Explanation
The molecular weight of the compound is around 225.32 grams per mole, which is an important parameter for determining its physical and chemical properties.
Explanation
The compound is likely to be soluble in organic solvents such as ethanol, methanol, or dimethyl sulfoxide (DMSO), which is a common characteristic of many heterocyclic compounds.
Explanation
1H-1,2,4-Triazole, 3-phenyl-5-(2-propenylthio)is expected to be stable under normal conditions, such as room temperature and pressure, making it suitable for laboratory research and potential industrial applications.
Structure
Contains a triazole ring, a phenyl group, and a propenylthio group
Potential Applications
Pharmaceuticals, agrochemicals, and materials science
Biological and Therapeutic Properties
Antimicrobial, antifungal, and anticancer activities
Building Block in Synthesis
Used in the synthesis of various organic compounds
Molecular Weight
Approximately 225.32 g/mol
Solubility
Soluble in organic solvents
Stability
Stable under normal conditions
Check Digit Verification of cas no
The CAS Registry Mumber 77086-31-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,0,8 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 77086-31:
(7*7)+(6*7)+(5*0)+(4*8)+(3*6)+(2*3)+(1*1)=148
148 % 10 = 8
So 77086-31-8 is a valid CAS Registry Number.
77086-31-8Relevant academic research and scientific papers
Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction
Zhou, Wenjuan,Xu, Chenhao,Dong, Guanjun,Qiao, Hui,Yang, Jing,Liu, Hongmin,Ding, Lina,Sun, Kai,Zhao, Wen
, (2021/03/24)
Defective in cullin neddylation 1(DCN1) is a co-E3 ligase that is important for cullin neddylation. Dysregulation of DCN1 highly correlates with the development of various cancers. Herein, from the initial high-throughput screening, a novel hit compound 5a containing a phenyltriazole thiol core (IC50 value of 0.95 μM for DCN1-UBC12 interaction) was discovered. Further structure-based optimization leads to the development of SK-464 (IC50 value of 26 nM). We found that SK-464 not only directly bound to DCN1 in vitro, but also engaged cellular DCN1, suppressed the neddylation of cullin3, and hindered the migration and invasion of two DCN1-overexpressed squamous carcinoma cell lines (KYSE70 and H2170). These findings indicate that SK-464 may be a novel lead compound targeting DCN1-UBC12 interaction.
Unexpected direction of iodocyclization of 3-allylthio-5-phenyl-4H-1,2,4- triazole
Shmygarev,Kim
, p. 1207 - 1211 (2007/10/03)
The reaction of 3-allylthio-5-phenyl-4H-1,2,4-triazole with iodine to give a mixture of 5,6-dihydro-5-iodomethyl-3-phenyl[1,3]thiazolo[2,3-c][1,2,4] triazole, 6,7-dihydro-6-iodo-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine, 5,6-dihydro-6-iodomethyl-2-p
