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Pyridine, 4-isothiocyanato(9CI) is a chemical compound with the molecular formula C6H4N2S. It is a derivative of pyridine, a heterocyclic compound known for its use as a solvent and reagent in organic synthesis. The isothiocyanate group (-N=C=S) in Pyridine, 4-isothiocyanato- (9CI) allows it to react with amine and thiol compounds, making it a versatile building block in the production of pharmaceuticals, agrochemicals, and fine chemicals. Additionally, it is utilized in the synthesis of other heterocyclic compounds and serves as a ligand in coordination chemistry. Due to its unique chemical properties and reactivity, Pyridine, 4-isothiocyanato(9CI) has potential applications in the pharmaceutical industry and materials science. However, it requires careful handling and proper safety measures during its use.

76105-84-5

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76105-84-5 Usage

Uses

Used in Pharmaceutical Industry:
Pyridine, 4-isothiocyanato(9CI) is used as a key intermediate in the synthesis of various pharmaceuticals. Its ability to react with amine and thiol compounds makes it a valuable component in the development of new drugs with diverse therapeutic applications.
Used in Agrochemicals:
In the agrochemical industry, Pyridine, 4-isothiocyanato(9CI) is utilized in the production of pesticides and other crop protection agents. Its reactivity with amine and thiol compounds contributes to the creation of effective and targeted agrochemicals.
Used in Fine Chemicals:
Pyridine, 4-isothiocyanato(9CI) is employed as a building block in the synthesis of fine chemicals, which are high-purity chemicals used in various applications, including research, diagnostics, and specialty manufacturing.
Used in Synthesis of Heterocyclic Compounds:
Pyridine, 4-isothiocyanato(9CI) is used as a starting material in the synthesis of other heterocyclic compounds, which are important in various fields such as pharmaceuticals, materials science, and organic synthesis.
Used in Coordination Chemistry as a Ligand:
Pyridine, 4-isothiocyanato(9CI) serves as a ligand in coordination chemistry, where it forms complexes with metal ions. These complexes have potential applications in catalysis, materials science, and as functional materials with unique properties.
Used in Materials Science:
Due to its unique chemical properties and reactivity, Pyridine, 4-isothiocyanato(9CI) has potential applications in materials science, where it can be used to develop new materials with specific properties for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 76105-84-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,1,0 and 5 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 76105-84:
(7*7)+(6*6)+(5*1)+(4*0)+(3*5)+(2*8)+(1*4)=125
125 % 10 = 5
So 76105-84-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H4N2S/c9-5-8-6-1-3-7-4-2-6/h1-4H

76105-84-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Isothiocyanatopyridine

1.2 Other means of identification

Product number -
Other names pyridin-4-yl isothiocyanate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:76105-84-5 SDS

76105-84-5Relevant academic research and scientific papers

Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea against Meloidogyne incognita

Chang, Yaning,Zhang, Jingwei,Chen, Xiulei,Li, Zhong,Xu, Xiaoyong

, p. 2641 - 2644 (2017/05/10)

Two series of novel 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea were designed and synthesized. The bioassay results showed that most of the test compounds showed good nematicidal activity against M. incognita at the concentration of 10.0?mg?L?1 in vivo. The compounds A13, A17 and B3 showed excellent nematicidal activity on the second stage juveniles of the root-knot nematode with the inhibition rate of 51.3%, 58.3% and 51.3% at the concentration of 1.0?mg?L?1 respectively. It suggested that the structure of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea could be optimized further.

Synthesis of Isothiocyanates and Unsymmetrical Thioureas with the Bench-Stable Solid Reagent (Me4N)SCF3

Scattolin, Thomas,Klein, Alexander,Schoenebeck, Franziska

supporting information, p. 1831 - 1833 (2017/04/11)

A highly efficient, selective, and rapid transformation of primary amines and diamines to isothiocyanates and cyclic thioureas is disclosed. As opposed to established approaches that employ toxic or volatile electrophilic liquids and require reaction control (i.e., slow addition, cooling), this protocol utilizes the bench-stable, solid reagent (Me4N)SCF3 at room temperature. The method is characterized by operational simplicity, high speed, efficiency, high functional group tolerance, and late-stage applicability. The byproducts are solids, allowing isolation of the target compounds by filtration.

TRIAZOLE AGONISTS OF THE APJ RECEPTOR

-

Paragraph 0306; 0307, (2016/12/07)

Compounds of Formula I and Formula II, pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the following structures where the definitions of the variables are provided herein.

METHOD FOR INHIBITING GROWTH OF CANCER CELLS

-

Page/Page column 208, (2015/04/28)

1 A method of inhibiting the growth of cancer cells is disclosed in which cancer cells that contain an enhanced amount relative to non-cancerous cells of one or more of phosphorylated mTOR, Aktl, ERK2 and serine2152-phosphorylated filamin A are contacted

A METHOD OF INHIBITING TAU PHOSPHORYLATION

-

Page/Page column 182-183, (2014/02/15)

A method of inhibiting phosphorylation of the tau protein and/or a TLR4-mediated immune response is disclosed. The method contemplates administering to cells in recognized need thereof such as cells of the central nervous system an effective amount of a of a compound or a pharmaceutically acceptable salt thereof that binds to a pentapeptide of filamin A (FLNA) of SEQ ID NO: 1, and contains at least four of the six pharmacophores of FIGS. 35-40.

Synthesis and biological evaluation of arylthiourea derivatives with antitubercular activity

Luo, Rusong,Laitinen, Tuomo,Teng, Liyan,Nevalainen, Tapio,Lahtela-Kakkonen, Maija,Zheng, Baofu,Wang, Honghai,Poso, Antti,Zhang, Xuelian

, p. 640 - 650 (2013/08/23)

Tuberculosis (TB) is a contagious disease caused by Mycobacterium tuberculosis (M. tuberculosis), and remains one of the most life-threatening plagues for public health in the world. The emergence of drug resistant strains of TB and co-infection with HIV has further complicated TB treatment. Here, the synthesis and characterizaton of a series of compounds were described, and these were followed by evaluating for their antibacterial activity against M. tuberculosis. Several novel arylthiourea derivatives exhibited excellent activity (lowest MIC=0.09 μg/ml) against M. tuberculosis including drug resistant strains of M. tuberculosis. The results suggest that these compounds are promising candidates for new anti-TB agent development.

PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE

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Page/Page column 34; 78, (2010/12/29)

The present application discloses a compound of the formula (I) wherein Q is optionally substituted pyridyl; p is 0-6; Y is formulae (i), (ii) and (iii) where X is =O, =S and =N-CN, r is 1-12, R is -Z-A, Z is a single bond, -S(=O)2-, >P=O, >C=O, -C(=O)NH-, and -C(=S)NH-; and A is hydrogen, C1-12-alkyl, C3-12-cycloalkyl, - [CH2CH2O]1-10-(C1-6-alkyl), C1-12-alkenyl, aryl, heterocyclyl, and heteroaryl; B is a single bond, -NRN-, -S(=O)2- and -O-; wherein RN is selected from hydrogen, C1-12-alkyl, C3-12-cycloalkyl, -[CH2CH2O]1-10-(C1-6-alkyl), C1-12-alkenyl, aryl, heterocyclyl, and heteroaryl; s is 0-6; and Cy is aryl, cycloalkyl, heterocyclyl, and heteroaryl. The compounds are usefuld for use as a medicament for the treatment of a disease or a condition caused by an elevated level of nicotinamide phosphoribosyltransferase (NAMPRT).

2-[(2-Aminobenzyl)sulfinyl]-1-(2-pyridyl)-1,4,5,6- tetrahydrocyclopent[d]imidazoles as a novel class of gastric H+/K+-ATPase inhibitors

Yamada,Yura,Morimoto,Harada,Yamada,Honma,Kinoshita,Sugiura

, p. 596 - 604 (2007/10/03)

Substituted 2-sulfinylimidazoles were synthesized and investigated as potential inhibitors of gastric H+/K+-ATPase. The 4,5-unsubstituted imidazole series 6-11 and the 1,4,5,6-tetrahydrocyclopent[d]imidazole series 12 were found to be potent inhibitors of the acid secretory enzyme H+/K+- ATPase. Structure-activity relationships indicate that the substitution of 2- pyridyl groups at the 1-position of the imidazole moiety combined with (2- aminobenzyl)sulfinyl groups at the 2-position leads to highly active compounds with a favorable chemical stability. Other substitution patterns in the imidazole moiety result in reducing biological activities. 2-[(2- Aminobenzyl)sulfinyl]-1-[2-(3-methylpyridyl)]-1,4,5,6- tetrahydrocyclopent[d]imidazole (12h, T-776) was selected for further development as a potential clinical candidate. Extensive study on the acid degradation of 12h indicates a mechanism of action different from that of omeprazole, the first H+/K+-ATPase inhibitor introduced to the market.

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