139183-87-2

Basic information

• Product Name: 6-Aminomethyl-nicotinic acid methyl ester
• Synonyms: 6-Aminomethyl-nicotinic acid methyl ester;methyl 6-(aminomethyl)nicotinate;Methyl 6-(aMinoMethyl)pyridin-3-carboxylate;6-(aMinoMethyl)nicotinic acid hydrochloride;MFCD11045450;Methyl 6-(aminomethyl);methyl 6-(aminomethyl)pyridine-3-carboxylate
• CAS NO: 139183-87-2
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Mol File: 139183-87-2.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 276.07°C at 760 mmHg
• Flash Point: 120.763°C
• Appearance: /
• Density: 1.182g/cm³
• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.547
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.35±0.39(Predicted)
• CAS DataBase Reference: 6-Aminomethyl-nicotinic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Aminomethyl-nicotinic acid methyl ester(139183-87-2)
• EPA Substance Registry System: 6-Aminomethyl-nicotinic acid methyl ester(139183-87-2)

Safety Data

• Hazardous Substances Data: 139183-87-2(Hazardous Substances Data)

Usage

Description

6-Aminomethyl-nicotinic acid methyl ester is a compound derived from nicotinic acid, also known as niacin, which is a type of B vitamin. It is a white crystalline powder with a molecular formula of C8H10N2O2 and is soluble in water. This ester is characterized by its potential to undergo a variety of chemical reactions, making it a very useful building block in the fields of biology and medicine.

Uses

Used in Biochemistry:
6-Aminomethyl-nicotinic acid methyl ester is used as a chemical intermediate for the synthesis of various drugs or substances with potential medical applications. Its versatility in chemical reactions allows it to be a valuable component in the development of new compounds.
Used in Pharmaceutical Manufacturing:
6-Aminomethyl-nicotinic acid methyl ester is used as a key building block in the production of pharmaceuticals. Its ability to participate in various chemical processes makes it an essential component in the synthesis of new drugs, contributing to the advancement of medicine.
Used in Research and Development:
6-Aminomethyl-nicotinic acid methyl ester is used as a research compound in the study of chemical processes and reactions. Its properties and reactivity make it a valuable tool for scientists and researchers working in the fields of biology and medicine, aiding in the discovery of new substances and applications.

InChI:InChI=1/C8H10N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,4,9H2,1H3

Upstream product

• 951306-53-9 6-(chloromethyl)nicotinic acid methyl ester hydrochloride 
• 56026-36-9 methyl 6-(hydroxymethyl)nicotinate 
• 881-86-7 dimethyl 2,5-pyridine dicarboxylate 
• 49668-90-8 methyl 6-(chloromethyl)pyridine-3-carboxylate 
• 131803-48-0 methyl 6-bromomethylnicotinate 
• 5470-70-2 Methyl 6-methylnicotinate 
• 3222-47-7 6-methylnicotinic acid 
• 384831-56-5 6-(azidomethyl)nicotinic acid methyl ester 
• 22794-96-3 methyl 6-hydroxyiminomethylnicotinate 

Downstream Products

• 773884-40-5 methyl 6-{[(3-phenylpropanoyl)amino]methyl}nicotinate 
• 1072437-74-1 6-[(3-{2-[((1R,3aS,5aR,5bR,1aR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-icosahydro-cyclopenta[a]chrysene-3a-carbonyl)-amino]-ethyl}-benzoylamino)-methyl]-nicotinic acid methyl ester 
• 139183-89-4 methyl imidazo[1,5-a] pyridine-6-carboxylate 
• 503470-75-5 6-[(3-carboxy-4-hydroxy-benzenesulfonylamino)-methyl]-nicotinic acid methyl ester 

Relevant articles and documents

Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation

Rh(III) complexes having tris(2-pyridylmethyl)amine (TPA) and its derivative as tetradentate ligands showed reversible deprotonation at a methylene moiety of the TPA ligands upon addition of a strong base as confirmed by spectroscopic measurements and X-ray crystallography. Deprotonation selectively occurred at the axial methylene moiety rather than equatorial counterparts because of the thermodynamic stability of corresponding deprotonated complexes. One-electron oxidation of the deprotonated Rh(III)-TPA complex afforded a unique TPA radical bound to the Rh(III) center by a ligand-centered oxidation. This is the first example to demonstrate emergence of the redox-noninnocent character of the TPA ligand.

ANTIVIRAL COMPOUNDS AND USE THEREOF

The invention relates to compounds, pharmaceutical compositions and methods useful for treating viral infection.

Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design

The design, synthesis, and in vitro activities of a series of potent and selective small-molecule inhibitors of caspase-3 are described. From extended tethering, a salicylic acid fragment was identified as having binding affinity for the S4 pocket of caspase-3. X-ray crystallography and molecular modeling of the initial tethering hit resulted in the synthesis of 4, which reversibly inhibited caspase-3 with a Ki = 40 nM. Further optimization led to the identification of a series of potent and selective inhibitors with Ki values in the 20-50 nM range. One of the most potent compounds in this series, 66b, inhibited caspase-3 with a Ki = 20 nM and selectivity of 8-500-fold for caspase-3 vs a panel of seven caspases (1, 2, and 4-8). A high-resolution X-ray cocrystal structure of 4 and 66b supports the predicted binding modes of our compounds with caspase-3.