52395-66-1

Usage

Uses

Used in Organic Synthesis:
Cyclohexanemethyl Isothiocyanate is used as a reagent in organic synthesis for its unique chemical properties. Its ability to form various chemical bonds and reactions makes it a valuable component in the creation of new compounds and materials.
Used in Chemical Research:
In the field of chemical research, Cyclohexanemethyl Isothiocyanate is employed as a research tool to study the properties and behavior of organosulfur compounds. Its distinctive structure and reactivity provide insights into the development of new chemical processes and applications.
Used in Pharmaceutical Industry:
Cyclohexanemethyl Isothiocyanate is used as an intermediate in the synthesis of certain pharmaceutical compounds. Its unique chemical properties allow for the creation of new drug candidates with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, Cyclohexanemethyl Isothiocyanate is used as a starting material for the synthesis of various agrochemical products, such as pesticides and herbicides. Its reactivity and versatility contribute to the development of effective crop protection solutions.
Precautions:
When handling Cyclohexanemethyl Isothiocyanate, it is essential to take proper precautions due to its potential to cause skin and eye irritation, as well as respiratory irritation if inhaled. Proper safety measures, such as wearing protective gear and working in a well-ventilated area, should be followed to minimize risks associated with its use.

InChI:InChI=1/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2

Upstream product

• 75-15-0 carbon disulfide 
• 3218-02-8 cyclohexylmethylamine 
• 541-41-3 chloroformic acid ethyl ester 
• 463-71-8 thiophosgene 

Downstream Products

• 66892-28-2 N-Cyclohexylmethylthiourea 
• 473739-47-8 3-cyclohexylmethyl-1-methyl-2-thiohydantoin 
• 138460-22-7 aminomethanesulfonic acid 

Relevant academic research and scientific papers

Synthesis and Evaluation of Novel Quinazolinone Derivatives as Potential Anti-HCC Agents

Hepatocellular carcinoma (HCC), a common malignancy worldwide, has a high mortality rate and limited effective therapeutic options. In this work, a series of quinazolinone compounds (6a–t and 7a–i) were synthesized as potential anti-HCC agents. Among them, compound 7b more potently inhibited HepG2, HUH7 and SK-Hep-1 cells proliferation than classical anti-HCC drug sorafenib, indicating its potential anti-HCC effect. Interestingly, 7b could dose-dependently decrease Cyclin D1 and CDK2 levels, and increase p21 protein expression, thus inducing HepG2 cells cycle arrest at G0/G1 phase. In addition, 7b also displayed potent apoptosis-induced effect on HepG2 cells by interfering Bad, Bax, Bcl-2 and Bcl-xl proteins expression. Notably, 7b could efficiently block the activity of PI3K pathway by dose-dependently reducing the phosphorylation of PI3K (Y607) and AKT (S473). Moreover, predicted ADME properties indicated that 7b possessed a good pharmacokinetic profile. Collectively, compound 7b might be a promising lead to the development of novel therapeutic agents towards HCC.

Design and synthesis of novel quinazolinone derivatives as anti-HBV agents with TLR8 agonist effect

Hepatitis B virus (HBV) infection is a worldwide threat to public health. In this work, a series of novel quinazolinone derivatives (5a-q) were synthesized and evaluated as novel anti-HBV agents. Among them, compound 5l exhibited potent inhibitory effect on HBV DNA replication in both wild type and drug resistant (lamivudine and entecavir) HBV strains with IC50 values of 0.15 and 0.10 μM, respectively. Notably, the selective index value of 5l was high above 66.67, indicating the favorable safety profile. Molecular docking study indicated that compound 5l well fitted into the binding pocket of TLR8 protein-protein interface. Dual-luciferase reporter gene assay further confirmed that compound 5l could dose-dependently activate TLR8, thus effectively inducing the activity of TLR8-dependent NF-κB. Collectively, compound 5l displayed potent anti-HBV activities and TLR8 agonist effect in vitro, and might be a potential immunomodulatory anti-HBV agent to warrant further investigation.

Systematic structure-activity relationship (SAR) exploration of diarylmethane backbone and discovery of a highly potent novel uric acid transporter 1 (URAT1) inhibitor

In order to systematically explore and better understand the structure-activity relationship (SAR) of a diarylmethane backbone in the design of potent uric acid transporter 1 (URAT1) inhibitors, 33 compounds (1a-1x and 1ha-1hi) were designed and synthesized, and their in vitro URAT1 inhibitory activities (IC50) were determined. The three-round systematic SAR exploration led to the discovery of a highly potent novel URAT1 inhibitor, 1h, which was 200-and 8-fold more potent than parent lesinurad and benzbromarone, respectively (IC50 = 0.035 μM against human URAT1 for 1h vs. 7.18 μM and 0.28 μM for lesinurad and benzbromarone, respectively). Compound 1h is the most potent URAT1 inhibitor discovered in our laboratories so far and also comparable to the most potent ones currently under development in clinical trials. The present study demonstrates that the diarylmethane backbone represents a very promising molecular scaffold for the design of potent URAT1 inhibitors.

ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME

The present invention provides glucosinolate and isothiocyanate compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME

The present invention provides glucosinolate and isothiocyante compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors

PCT No. PCT/IB97/00584 Sec. 371 Date Oct. 7, 1999 Sec. 102(e) Date Oct. 7, 1999 PCT Filed May 22, 1997 PCT Pub. No. WO97/49700 PCT Pub. Date Dec. 31, 1997The present invention relates to compounds of the formula wherein R1, R2, R3 and R4 are as defined he