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2-(1H-1,2,3-Triazol-1-yl)... is a chemical compound characterized by the presence of a triazolyl group (1H-1,2,3-triazole) attached at the 2-position of a larger molecule. Triazoles are nitrogen-containing heterocycles known for their diverse biological activities, such as antifungal, antiviral, anticancer, and antitubercular properties. The attachment of the triazolyl group at the 2-position can significantly influence the compound's physical and chemical properties, making it a promising candidate for various applications in pharmaceuticals, agrochemicals, and materials science.

1085458-53-2

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1085458-53-2 Usage

Uses

Used in Pharmaceutical Industry:
2-(1H-1,2,3-Triazol-1-yl)... is used as a pharmaceutical compound for its diverse biological activities, including antifungal, antiviral, anticancer, and antitubercular properties. The triazolyl group's presence at the 2-position allows for the development of new drugs with improved efficacy and selectivity against various diseases.
Used in Agrochemical Industry:
2-(1H-1,2,3-Triazol-1-yl)... is used as an agrochemical compound for its potential applications in pest control and crop protection. The triazolyl group's unique properties can be harnessed to develop new agrochemicals with enhanced effectiveness and reduced environmental impact.
Used in Materials Science:
2-(1H-1,2,3-Triazol-1-yl)... is used in materials design for its potential to influence the physical and chemical properties of various materials. The triazolyl group's presence at the 2-position can be utilized to create new materials with improved properties, such as enhanced stability, reactivity, or selectivity, for use in various applications, including sensors, catalysts, and coatings.
Used in Drug Discovery:
2-(1H-1,2,3-Triazol-1-yl)... is used as a starting point or a building block in drug discovery for its potential to contribute to the development of new therapeutic agents. The triazolyl group's diverse biological activities and its impact on the compound's properties make it a valuable component in the design and synthesis of novel drugs with improved pharmacological profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 1085458-53-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,8,5,4,5 and 8 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1085458-53:
(9*1)+(8*0)+(7*8)+(6*5)+(5*4)+(4*5)+(3*8)+(2*5)+(1*3)=172
172 % 10 = 2
So 1085458-53-2 is a valid CAS Registry Number.

1085458-53-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(triazol-1-yl)benzoic acid

1.2 Other means of identification

Product number -
Other names C-8638

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:1085458-53-2 SDS

1085458-53-2Downstream Products

1085458-53-2Relevant academic research and scientific papers

Monoacylglycerol Lipase Modulators

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Paragraph 0410; 0539-0540; 0551-0552, (2020/04/24)

Bridged compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. wherein R2, R3 R4, R5 and R6 are defined herein.

Fragment-Based Discovery of a Qualified Hit Targeting the Latency-Associated Nuclear Antigen of the Oncogenic Kaposi's Sarcoma-Associated Herpesvirus/Human Herpesvirus 8

Kirsch, Philine,Jakob, Valentin,Oberhausen, Kevin,Stein, Saskia C.,Cucarro, Ivano,Schulz, Thomas F.,Empting, Martin

, (2019/05/01)

The latency-associated nuclear antigen (LANA) is required for latent replication and persistence of Kaposi's sarcoma-associated herpesvirus/human herpesvirus 8. It acts via replicating and tethering the virus episome to the host chromatin and exerts other functions. We conceived a new approach for the discovery of antiviral drugs to inhibit the interaction between LANA and the viral genome. We applied a biophysical screening cascade and identified the first LANA binders from small, structurally diverse compound libraries. Starting from a fragment-sized scaffold, we generated optimized hits via fragment growing using a dedicated fluorescence-polarization-based assay as the structure-activity-relationship driver. We improved compound potency to the double-digit micromolar range. Importantly, we qualified the resulting hit through orthogonal methods employing EMSA, STD-NMR, and MST methodologies. This optimized hit provides an ideal starting point for subsequent hit-to-lead campaigns providing evident target-binding, suitable ligand efficiencies, and favorable physicochemical properties.

Fragment-Based Discovery of a Qualified Hit Targeting the Latency-Associated Nuclear Antigen of the Oncogenic Kaposi's Sarcoma-Associated Herpesvirus/Human Herpesvirus 8

Kirsch, Philine,Jakob, Valentin,Oberhausen, Kevin,Stein, Saskia C.,Cucarro, Ivano,Schulz, Thomas F.,Empting, Martin

, p. 3924 - 3939 (2019/05/06)

The latency-associated nuclear antigen (LANA) is required for latent replication and persistence of Kaposi's sarcoma-associated herpesvirus/human herpesvirus 8. It acts via replicating and tethering the virus episome to the host chromatin and exerts other functions. We conceived a new approach for the discovery of antiviral drugs to inhibit the interaction between LANA and the viral genome. We applied a biophysical screening cascade and identified the first LANA binders from small, structurally diverse compound libraries. Starting from a fragment-sized scaffold, we generated optimized hits via fragment growing using a dedicated fluorescence-polarization-based assay as the structure-activity-relationship driver. We improved compound potency to the double-digit micromolar range. Importantly, we qualified the resulting hit through orthogonal methods employing EMSA, STD-NMR, and MST methodologies. This optimized hit provides an ideal starting point for subsequent hit-to-lead campaigns providing evident target-binding, suitable ligand efficiencies, and favorable physicochemical properties.

DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS

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Page/Page column 46, (2012/11/07)

Disubstituted octahydropyrrolo[3,4-c]pyrrole compounds are described, which are useful as orexin receptor modulators. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS

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Page/Page column 75-76; 82, (2011/05/06)

Certain disubstituted 3,8-diaza-bicyclo[4.2.0]octane and 3,6-diazabicyclo [3.2.0]heptane are described, which are useful as orexin inhibitors. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS

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Page/Page column 53; 79, (2011/05/06)

Disubstituted 3,8-diaza-bicyclo[4.2.0]octane and 3,6-diazabicyclo [3.2.0]heptane compounds are described, which are useful as orexin receptor modulators. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS

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Page/Page column 46, (2011/05/06)

Disubstituted octahydropyrrolo[3,4-c]pyrrole compounds are described, which are useful as orexin receptor modulators. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS

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Page/Page column 30, (2009/01/20)

The present invention is directed to oxo bridged diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS

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Page/Page column 33-34, (2008/06/13)

The present invention is directed to substituted diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

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