639091-75-1

Basic information

• Product Name: 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester
• Synonyms: 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester;Methyl 2-(Boc-amino)isonicotinate;4-Pyridinecarboxylic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester;Methyl 2-((tert-butoxycarbonyl)aMino)isonicotinate;2-Boc-amino-isonicotinic acid methyl ester;2-tert-Butoxycarbonylamino-isonicotinic acid methyl ester
• CAS NO: 639091-75-1
• Molecular Formula: C₁₂H₁₆N₂O₄
• Molecular Weight: 252.26644
• Mol File: 639091-75-1.mol

Chemical Properties

• Melting Point: 75.1～75.2℃
• Boiling Point: 325.534°C at 760 mmHg
• Flash Point: 150.678°C
• Appearance: /
• Density: 1.204g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.542
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 12.12±0.70(Predicted)
• CAS DataBase Reference: 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester(639091-75-1)
• EPA Substance Registry System: 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester(639091-75-1)

Safety Data

• Hazardous Substances Data: 639091-75-1(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry:
2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester is used as a building block or intermediate for the synthesis of pharmaceutical agents due to its functional groups that are commonly found in medicinal compounds.
Used in Pharmaceutical Synthesis:
In the Pharmaceutical Industry, 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester is used as a precursor in the development of new drugs, leveraging its unique structure and functional groups to create novel therapeutic agents.
Further research and testing are required to explore the specific properties and potential applications of 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pyridinecarboxylic acidmethylester in various fields, including but not limited to drug discovery and development.

InChI:InChI=1/C12H16N2O4/c1-12(2,3)18-11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)

Upstream product

• 67-56-1 methanol 
• 24424-99-5 di-tert-butyl dicarbonate 
• 13362-28-2 2-aminoisonicotinic acid 
• 36016-38-3 tert-Butyl N-hydroxycarbamate 
• 2459-09-8 4-pyridinecarboxylic acid, methyl ester 
• 6937-03-7 methyl 2-aminoisonicotinate 
• 6313-54-8 2-chloroisonicotinic acid, 

Downstream Products

• 1417342-99-4 5,8-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine 
• 1417343-24-8 2-(2-(3-bromophenyl)imidazo[1,2-a]pyridin-7-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine 
• 1417343-25-9 2-(2-(3-cyclopropylphenyl)imidazo[1,2-a]pyridin-7-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine 
• 1417343-26-0 5,8-dimethyl-2-(2-(3-(pyrrolidin-1-yl)phenyl)imidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine 
• 1417343-27-1 (S)-2-(2-(3-(3-fluoropyrrolidin-1-yl)phenyl)imidazo[1,2-a]pyridin-7-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine 
• 190189-98-1 (4-bromomethylpyridin-2-yl)carbamic acid tert-butyl ester 

Relevant articles and documents

1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

The present invention relates to a novel compound having a histone deacetylase 6 (HDAC6) inhibitory activity, an isomer thereof or a pharmaceutically acceptable salt thereof, the use thereof for preparing a therapeutic medicament; a pharmaceutical composition containing the same, and a treatment method using the composition; and a preparation method thereof. The novel compound, the isomer thereof, or the pharmaceutically acceptable salt thereof according to the present invention has the HDAC6 inhibitory activity, which is effective in the prevention or treatment of HDAC6-mediated diseases including cancer, inflammatory diseases, autoimmune diseases, neurological or neurodegenerative diseases.

1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

The present invention relates to a novel compound having a histone deacetylase 6 (HDAC6) inhibitory activity, an isomer thereof or a pharmaceutically acceptable salt thereof, the use thereof for preparing a therapeutic medicament; a pharmaceutical composition containing the same, and a treatment method using the composition; and a preparation method thereof. The novel compound, the isomer thereof, or the pharmaceutically acceptable salt thereof according to the present invention has the HDAC6 inhibitory activity, which is effective in the prevention or treatment of HDAC6-mediated diseases including cancer, inflammatory diseases, autoimmune diseases, neurological or neurodegenerative diseases.

UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION

Compounds of formulae (I) and (II), compositions, and methods for use in inhibiting the E3 enzyme Cbl-b in the ubiquitin proteasome pathway are disclosed. The compounds, compositions, and methods can be used to modulate the immune system, to treat diseases amenable to immune system modulation, and for treatment of cells invivo, in vitro, or ex vivo.

QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF

A quaternary lactam compound of formula (I). The compound is used in the manufacture of a medicament for the treatment and/or prevention of thrombotic or thromboembolic disorders.

A multifunctional reagent designed for the site-selective amination of pyridines

We report the development of a multifunctional reagent for the direct conversion of pyridines to Boc-protected 2-aminopyridines with exquisite site selectivity and chemoselectivity. The novel reagent was prepared on 200-g scale in a single step, reacts in the title reaction under mild conditions without precautions toward air or moisture, and is tolerant of nearly all common functionality. Experimental and in situ spectroscopic monitoring techniques provide detailed insights and unexpected findings for the unique reaction mechanism.

INHIBITORS OF CBL-B AND METHODS OF USE THEREOF

Compounds, compositions, and methods for use in inhibiting the E3 enzyme Cbl-b in the ubiquitin proteasome pathway are disclosed. The compounds, compositions, and methods can be used to modulate the immune system, to treat diseases amenable to immune system modulation, and for treatment of cells in vivo, in vitro, or ex vivo.

AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF

The present invention relates generally to therapeutics targeting the bacterium Porphyromonas gingivalis, including its proteases arginine gingipain A/B (Rgp), and their use for the treatment of disorders associated with P. gingivalis infection, including brain disorders such as Alzheimer's disease. In certain embodiments, the invention provides compounds according to Formula I and Formula III, as described herein, and pharmaceutically acceptable salts thereof.

CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER

The present invention relates to an antibody-drug-conjugate or pharmaceutical composition comprising the same. From one aspect, the invention relates to an antibody-drug-conjugate (ADC) comprising an antibody consisting of the Trastuzumab or a biosimilar thereof, said antibody being conjugated to at least one drug consisting of a monomethyl auristatin F derivative. The invention also comprises method of treatment of cancer comprising administering to the subject an effective amount of said antibody-drug-conjugate or composition comprising the same.

COMPOSITION FOR THE TREATMENT OF IGF-1R EXPRESSING CANCER

The present invention relates to a method for the treatment of IGF-IR expressing cancers as well as to a compositions and a kit for said traitment. From one aspect, the invention reates to the combined use of a first antibody for the determination of the IGF-IR status of a cancer and a second antibody used as an ADC for the treatment of said cancer.

Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening

Here we report the discovery of a selective inhibitor of Aurora A, a key regulator of cell division and potential anticancer target. We used the atom category extended ligand overlap score (xLOS), a 3D ligand-based virtual screening method recently developed in our group, to select 437 shape and pharmacophore analogs of reference kinase inhibitors. Biochemical screening uncovered two inhibitor series with scaffolds unprecedented among kinase inhibitors. One of them was successfully optimized by structure-based design to a potent Aurora A inhibitor (IC50 = 2 nM) with very high kinome selectivity for Aurora kinases. This inhibitor locks Aurora A in an inactive conformation and disrupts binding to its activator protein TPX2, which impairs Aurora A localization at the mitotic spindle and induces cell division defects. This phenotype can be rescued by inhibitor-resistant Aurora A mutants. The inhibitor furthermore does not induce Aurora B specific effects in cells.