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2-Carbamoyl-isonicotinic acid ethyl ester, a carbamate chemical compound, is an ester of isonicotinic acid. It is recognized for its potential biological activities, including anti-inflammatory and anti-cancer properties, and serves as a crucial intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, it functions as a building block in drug production, playing a significant role in medicinal chemistry. However, due to its potential toxic effects, careful handling and usage are essential.

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  • 166766-77-4 Structure
  • Basic information

    1. Product Name: 2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER
    2. Synonyms: 2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER;Ethyl 2-carbaMoylisonicotinate;4-Ethoxycarbonylpyridine-2-carboxamide
    3. CAS NO:166766-77-4
    4. Molecular Formula: C9H10N2O3
    5. Molecular Weight: 194.1873
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 166766-77-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 352.125 °C at 760 mmHg
    3. Flash Point: 166.76 °C
    4. Appearance: /
    5. Density: 1.247 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 14.49±0.50(Predicted)
    10. CAS DataBase Reference: 2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER(166766-77-4)
    12. EPA Substance Registry System: 2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER(166766-77-4)
  • 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: 166766-77-4(Hazardous Substances Data)

166766-77-4 Usage

Uses

Used in Pharmaceutical Industry:
2-Carbamoyl-isonicotinic acid ethyl ester is used as an intermediate in the synthesis of various pharmaceuticals for its potential biological activities, such as anti-inflammatory and anti-cancer properties. It contributes to the development of new drugs that can address a range of health conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Carbamoyl-isonicotinic acid ethyl ester is utilized as an intermediate in the production of agrochemicals, helping to create compounds that can protect crops and enhance agricultural productivity.
Used in Medicinal Chemistry:
2-Carbamoyl-isonicotinic acid ethyl ester is used as a building block in the field of medicinal chemistry, enabling the creation of diverse drug structures that can target specific biological pathways and diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 166766-77-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,6,7,6 and 6 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 166766-77:
(8*1)+(7*6)+(6*6)+(5*7)+(4*6)+(3*6)+(2*7)+(1*7)=184
184 % 10 = 4
So 166766-77-4 is a valid CAS Registry Number.

166766-77-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 2-carbamoylisonicotinate

1.2 Other means of identification

Product number -
Other names ethyl 2-carbamoylpyridine-4-carboxylate

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:166766-77-4 SDS

166766-77-4Relevant articles and documents

BTK INHIBITORS

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Page/Page column 129, (2014/08/07)

The present invention provides Bruton's Tyrosine Kinase (Btk) inhibitor compounds according to Formula I or a pharmaceutically acceptable salt thereof or to pharmaceutical compositions comprising these compounds and to their use in therapy. In particular, the present invention relates to the use of Btk inhibitor compounds in the treatment of Btk mediated disorders.

BTK INHIBITORS

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Paragraph 0795, (2014/08/06)

The present invention provides Bruton's Tyrosine Kinase (Btk) inhibitor compounds according to Formula I or a pharmaceutically acceptable salt thereof or to pharmaceutical compositions comprising these compounds and to their use in therapy. In particular, the present invention relates to the use of Btk inhibitor compounds in the treatment of Btk mediated disorders.

ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS

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Page/Page column 33, (2010/11/03)

or a pharmaceutically suitable salt thereof, wherein, R1 and R2 independently are hydrogen, deuterium, aryl, hetero aryl, C1-C8 alkyl, optionally being substituted with one or more substituents independently being R3,R3 is an aryl, hetero aryl, fluorine(s), a C1-C6 alkyl containing one or more fluorine, a C1-C6 alkyl containing one or more deuterium, a C1-C6 alkyl containing hydroxy, the aryl and heteroaryl optionally being substituted with one or more halogen, a fluorinated alkoxy, a fluorinated alkyl, a sulfonyl, one or more deuterium, a C1-6 alkyl, a C1-6 alkoxy, a nitrile,or R3 is a C1-6 alkyl optionally substituted with one or more of the following groups: COOR4, OCOR4, CONR5R6, NR5COR6, OR4;wherein, R4 is a C1-10 alkyl optionally substituted with one or more fluorine, deuterium, alkoxy, arylcarboxylate, alkyl carboxylate;R5 and R6 are independently selected from hydrogen, alkyl or they may together form a 4-8 membered carbon ring;or R1 and R2 form a 3-10 membered carbon ring optionally comprising O or N and optionally substituted with a C1-10 alkyl or aryl, hetero aryl optionally substituted with R3.

1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS

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Page/Page column 22; 36, (2008/06/13)

This invention relates to novel 1, 3- thiazole-5 -carboxamide compounds of formula (I), pharmaceutical compositions containing such compounds, and the use of those compounds or compositions as cancer chemotherapeutic agents.

2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS

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Page/Page column 45, (2010/02/15)

A compound having the formula (1) in which the ring containing E is a phenyl, a pyridine, or a pyrimidine. In formula (1) the symbol A represents (see structures) wherein the group R4 represents halogen, CF3, or H, provided that the maximum number of CF3 groups on any A is 2, and the maximum number of hydrogens on A is 2 for the A groups which together with the carbon atoms to which they are attached form 6-membered rings, and the maximum number of hydrogens on A is 1 for the A group which together with the carbon atoms to which it is attached forms a 5-membered ring. Z represents N or CH when E forms a phenyl ring, and represents CH when E forms a pyridine or pyrimidine. The groups R1, R2 and R3 and the subscripts a, b, and d are as defined in the text and claims. Pharmaceutical compositions containing a compound of formula (1) and methods of treating cancer using compounds of formula (1) are also disclosed and claimed.

2-AMINOTHIOPHENECARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS

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Page/Page column 30, (2010/10/20)

This invention relates to novel 2-aminothiophenecarboxamide compounds, pharmaceutical compositions containing such compounds, and the use of those compounds or compositions as cancer chemotherapeutic agents.

1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS

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Page/Page column 41-42, (2010/11/25)

This invention relates to novel 1 -Methyl- lH-pyrazole-4-carboxamide compounds, pharmaceutical compositions containing such compounds, and the use of those compounds or compositions as cancer chemotherapeutic agents.

An alternative synthesis of the NMDA antagonist CGS 19755 via free radical carbamoylation of ethyl isonicotinate.

Martin,Anvelt,Vares,Kuehn,Claesson

, p. 230 - 232 (2007/10/02)

The NMDA antagonist CGS 19755 (cis-4-phosphonomethyl-2-piperidinecarboxylic acid) has been prepared by applying Minisci reaction conditions [formamide, hydrogen peroxide, iron(II) sulfate] to ethyl isonicotinate, reduction of the ester with sodium borohydride, alcoholysis of the 2-carboxamide, formation of 4-(diethylphosphonomethyl)-2-pyridinecarboxylate, hydrogenation of the pyridine nucleus, and acid hydrolysis. The overall, unoptimized yield was around 11%. The procedure employs cheap starting materials, is practical and avoids the use of toxic and hazardous cyanotrimethylsilane which is used in the published procedure.

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