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2-Morpholin-4-ylisonicotinonitrile, a heterocyclic compound with the molecular formula C11H12N4O, is characterized by the presence of a morpholine ring and a pyridine group. It is primarily utilized in the realm of organic synthesis, serving as a crucial intermediate in the preparation of a variety of pharmaceuticals and agrochemicals. Additionally, it functions as a building block in the synthesis of other biologically active compounds. 2-MORPHOLIN-4-YLISONICOTINONITRILE holds significance in medicinal chemistry and drug discovery due to its potential biological activities and pharmacological properties.

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  • 127680-91-5 Structure
  • Basic information

    1. Product Name: 2-MORPHOLIN-4-YLISONICOTINONITRILE
    2. Synonyms: 2-MORPHOLIN-4-YLISONICOTINONITRILE;2-Morpholinoisonicotinonitrile;4-Pyridinecarbonitrile, 2-(4-morpholinyl)-
    3. CAS NO:127680-91-5
    4. Molecular Formula: C10H11N3O
    5. Molecular Weight: 189.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 127680-91-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-MORPHOLIN-4-YLISONICOTINONITRILE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-MORPHOLIN-4-YLISONICOTINONITRILE(127680-91-5)
    11. EPA Substance Registry System: 2-MORPHOLIN-4-YLISONICOTINONITRILE(127680-91-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 127680-91-5(Hazardous Substances Data)

127680-91-5 Usage

Uses

Used in Pharmaceutical Industry:
2-Morpholin-4-ylisonicotinonitrile is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Morpholin-4-ylisonicotinonitrile is employed as an intermediate in the production of agrochemicals, aiding in the creation of compounds that can enhance crop protection and management.
Used in Organic Synthesis:
2-Morpholin-4-ylisonicotinonitrile is used as a versatile building block in organic synthesis for its capacity to form a range of biologically active compounds, thereby expanding the scope of chemical research and development.
Used in Medicinal Chemistry and Drug Discovery:
2-MORPHOLIN-4-YLISONICOTINONITRILE is utilized in medicinal chemistry and drug discovery processes, leveraging its potential biological activities and pharmacological properties to contribute to the advancement of novel therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 127680-91-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,6,8 and 0 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 127680-91:
(8*1)+(7*2)+(6*7)+(5*6)+(4*8)+(3*0)+(2*9)+(1*1)=145
145 % 10 = 5
So 127680-91-5 is a valid CAS Registry Number.

127680-91-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-morpholin-4-ylpyridine-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 2-(4-morpholinyl)-4-cyanopyridine

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:127680-91-5 SDS

127680-91-5Downstream Products

127680-91-5Relevant articles and documents

Structure-Activity Relationship for the Picolinamide Antibacterials that Selectively Target Clostridioides difficile

Speri, Enrico,Qian, Yuanyuan,Janardhanan, Jeshina,Masitas, Cesar,Lastochkin, Elena,De Benedetti, Stefania,Wang, Man,Schroeder, Valerie A.,Wolter, William R.,Oliver, Allen G.,Fisher, Jed F.,Mobashery, Shahriar,Chang, Mayland

supporting information, p. 991 - 995 (2021/05/27)

Clostridioides difficile is a leading health threat. This pathogen initiates intestinal infections during gut microbiota dysbiosis caused by oral administration of antibiotics. C. difficile is difficult to eradicate due to its ability to form spores, which are not susceptible to antibiotics. To address the urgent need for treating recurrent C. difficile infection, antibiotics that selectively target C. difficile over common gut microbiota are needed. We herein describe the class of picolinamide antibacterials which show potent and selective activity against C. difficile. The structure-activity relationship of 108 analogues of isonicotinamide 4, a compound that is equally active against methicillin-resistant Staphylococcus aureus and C. difficile, was investigated. Introduction of the picolinamide core as exemplified by analogue 87 resulted in exquisite potency and selectivity against C. difficile. The ability of the picolinamide class to selectively target C. difficile and to prevent gut dysbiosis holds promise for the treatment of recurrent C. difficile infection.

Modulation of the fluorescence properties of diketopyrrolopyrroles: Via various electron-rich substituents

Purc, Anna,Banasiewicz, Marzena,Glodkowska-Mrowka, Eliza,Gryko, Daniel T.

, p. 2877 - 2885 (2016/04/26)

Four diketopyrrolopyrroles have been synthesized starting from heterocyclic aromatic nitriles. It was found that the negative influence of electron-donating groups on the reactivity of nitriles can be overcome by the presence of an electron-deficient pyri

Diarylthiazole: An antimycobacterial scaffold potentially targeting PrrB-PrrA two-component system

Bellale, Eknath,Naik, Maruti,Vb, Varun,Ambady, Anisha,Narayan, Ashwini,Ravishankar, Sudha,Ramachandran, Vasanthi,Kaur, Parvinder,McLaughlin, Robert,Whiteaker, James,Morayya, Sapna,Guptha, Supreeth,Sharma, Sreevalli,Raichurkar, Anandkumar,Awasthy, Disha,Achar, Vijayshree,Vachaspati, Prakash,Bandodkar, Balachandra,Panda, Manoranjan,Chatterji, Monalisa

supporting information, p. 6572 - 6582 (2014/10/15)

Diarylthiazole (DAT), a hit from diversity screening, was found to have potent antimycobacterial activity against Mycobacterium tuberculosis (Mtb). In a systematic medicinal chemistry exploration, we demonstrated chemical opportunities to optimize the potency and physicochemical properties. The effort led to more than 10 compounds with submicromolar MICs and desirable physicochemical properties. The potent antimycobacterial activity, in conjunction with low molecular weight, made the series an attractive lead (antibacterial ligand efficiency (ALE) >0.4). The series exhibited excellent bactericidal activity and was active against drug-sensitive and resistant Mtb. Mutational analysis showed that mutations in prrB impart resistance to DAT compounds but not to reference drugs tested. The sensor kinase PrrB belongs to the PrrBA two component system and is potentially the target for DAT. PrrBA is a conserved, essential regulatory mechanism in Mtb and has been shown to have a role in virulence and metabolic adaptation to stress. Hence, DATs provide an opportunity to understand a completely new target system for antimycobacterial drug discovery.

6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-ones and compositions and method of use thereof

-

, (2008/06/13)

Novel 6-heterocyclyl-pyrazolo[3,4-d]pyrimidin-4-ones, useful in treating cardiovascular disease, are prepared by reacting a 5-amino-1H-pyrazole-4-carboxamide with heterocyclylcarboxaldehyde or by reacting a 5-amino-1H-pyrazole-4-carbonitrile with a heterocyclylcarboxamidine, followed by diazotization and hydrolysis of the resulting 4-amino-6-heterocyclyl-pyrazolo[3,4-d]pyrimidine.

A Study of the Photochemically Induced Reaction of Pyridine-2,4-dicarbonitrile with Primary and Secondary Amines. A Direct Synthesis of Aminocyanopyridines

Bernardi, Rosanna,Caronna, Tullio,Morrocchi, Sergio,Ursini, Maurizio,Vittimberga, Bruno M.

, p. 97 - 100 (2007/10/02)

A novel synthesis of alkylaminopyridinecarbonitriles by a photoinitiated substitution reaction between pyridine-2,4-dicarbonitrile and certain amines is described.The mechanism is discussed.

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