885950-31-2 Usage
Chemical structure
2-(allylsulfanyl)-1-benzyl-1H-imidazole-5-carbaldehyde consists of an imidazole ring, a benzyl group, and an aldehyde functional group.
Imidazole ring
A five-membered heterocyclic ring with two nitrogen atoms and one sulfur atom, contributing to the compound's stability and potential pharmacological properties.
Benzyl group
A phenyl group attached to a methyl group, which is connected to the imidazole ring, providing a lipophilic character and potentially enhancing bioavailability.
Aldehyde functional group
A carbonyl group (C=O) with a hydrogen atom attached to the carbonyl carbon, making the compound a versatile starting material for the synthesis of other organic compounds.
Allylsulfanyl group
A vinyl group attached to a sulfur atom, which is connected to the imidazole ring, providing a sulfur-containing moiety and potentially contributing to the compound's pharmacological properties.
Potential applications
This chemical has potential uses in medicinal chemistry and drug development due to its imidazole derivative nature, which has been studied for various pharmacological properties, such as antimicrobial, antifungal, and anti-inflammatory activities.
Versatility in synthesis
The presence of the aldehyde group allows for the compound to be used as a starting material for the synthesis of other organic compounds, opening up possibilities for further research and development of new compounds with various applications.
Check Digit Verification of cas no
The CAS Registry Mumber 885950-31-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,5,9,5 and 0 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 885950-31:
(8*8)+(7*8)+(6*5)+(5*9)+(4*5)+(3*0)+(2*3)+(1*1)=222
222 % 10 = 2
So 885950-31-2 is a valid CAS Registry Number.
885950-31-2Relevant academic research and scientific papers
Design, Synthesis, and Docking Studies of Thioimidazolyl Diketoacid Derivatives Targeting HIV-1 Integrase
Hajimahdi, Zahra,Karimi, Nafiseh,Roudsari, Rouhollah Vahabpour,Zarghi, Afshin
, p. 616 - 628 (2022/03/09)
Background: Integrase enzyme is a validated drug target to discover novel structures as anti-HIV-1 agents. Objective: This study aimed at developing a novel series of thioimidazolyl diketoacid derivatives characterizing various substituents at N-1 and 2-thio positions of the central ring as HIV-1integrase inhibitors. Methods: In this study, eighteen novel thioimidazolyl DKA derivatives were synthesized in a five-step parallel procedure and tested in vitro for the inhibition of both IN ST reaction and the single-cycle HIV-1 replication in HeLa cell culture. Results: The obtained molecules were evaluated using the enzyme assay, displaying promising integrase inhibitory activity with IC50 values ranging from 0.9 to 7.7 mM. The synthesized compounds were also tested for antiviral activity and cytotoxicity using HeLa cells infected by the single-cycle replicable HIV-1 NL4-3. Conclusion: The most potent compound was found to be 18i with EC50 = 19 μM, IC50 = 0.9 μM, and SI = 10.5. Docking studies indicated that the binding mode of the active molecule is well aligned with the known HIV-1integrase inhibitor.
