29840-56-0

Basic information

• Product Name: Methyl 5-aminopentanoate hydrochloride
• Synonyms: Methyl 5-aminopentanoate hydrochloride;Ethyl 5-aMinopentanoate hydrochloride;5-Aminopentanoic acid methyl ester hydrochloride;delta-Aminovaleric acid methyl ester hydrochloride;Methyl 5-aminovalerate hydrochloride;Methyl 5-amino-pentanoate HCl;methyl ester- 5-amino- Pentanoic acid, hydrochloride (1:1)
• CAS NO: 29840-56-0
• Molecular Formula: C₆H₁₄NO₂*Cl
• Molecular Weight: 167.63386
• Mol File: 29840-56-0.mol
• Article Data: 24

Chemical Properties

• Melting Point: 145.5-147℃
• Boiling Point: 212.2°C at 760 mmHg
• Flash Point: 82.1°C
• Appearance: /
• Vapor Pressure: 0.146mmHg at 25°C
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
• CAS DataBase Reference: Methyl 5-aminopentanoate hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 5-aminopentanoate hydrochloride(29840-56-0)
• EPA Substance Registry System: Methyl 5-aminopentanoate hydrochloride(29840-56-0)

Safety Data

• Hazardous Substances Data: 29840-56-0(Hazardous Substances Data)

Usage

Description

Methyl 5-aminopentanoate hydrochloride is an organic compound that serves as a key intermediate in the synthesis of various pharmaceuticals and chemicals. It is a derivative of 5-aminopentanoic acid, featuring a methyl ester group and a hydrochloride salt, which contributes to its reactivity and utility in chemical reactions.

Uses

Used in Pharmaceutical Industry:
Methyl 5-aminopentanoate hydrochloride is used as a reactant for the synthesis of several compounds with therapeutic potential. Its role in the pharmaceutical industry is crucial, as it can be transformed into various active pharmaceutical ingredients (APIs) that target different medical conditions.
Used in Chemical Synthesis:
In the field of chemical synthesis, Methyl 5-aminopentanoate hydrochloride is utilized as a building block for creating a wide range of chemical products. Its versatile structure allows for further functionalization and modification, making it a valuable component in the development of new materials and compounds with specific applications.
Used in Research and Development:
Methyl 5-aminopentanoate hydrochloride is also employed in research and development settings, where it is used to explore new chemical reactions and pathways. Its reactivity and structural features make it an attractive candidate for studying various chemical processes and mechanisms, ultimately contributing to the advancement of scientific knowledge in the field.

InChI:InChI=1/C6H13NO2.ClH/c1-9-6(8)4-2-3-5-7;/h2-5,7H2,1H3;1H

Upstream product

• 67-56-1 methanol 
• 660-88-8 5-aminopentanoic acid 
• 77-76-9 2,2-dimethoxy-propane 
• 675-20-7 piperidin-2-one 
• 627-95-2 5-amino-valeric acid ; hydrochloride 
• 56-12-2 4-amino-n-butyric acid 

Downstream Products

• 94887-45-3 methyl N-retinylidene-δ-aminovalerate hydrochloride 
• 103309-82-6 Boc-val-Orn(Z)-δAva-OMe 
• 251456-81-2 methyl 5-(4-dimethylaminobenzoyl)aminovalerate 
• 383669-14-5 methyl 5-[[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]amino]pentanoate 
• 246154-02-9 5-{[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-pentanoic acid methyl ester 
• 913338-69-9 5-[2-(3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-propionylamino]-pentanoic acid methyl ester 
• 251456-59-4 5-(4-dimethylamino-benzoylamino)-pentanoic acid 
• 251456-82-3 N-benzyloxy-5-(4-dimethylaminobenzoyl)aminovaleramide 
• 727736-40-5 methyl 5-({[2-(benzyloxy)ethoxy]acetyl}amino)pentanoate 
• 169184-50-3 (RS)-2-(4-chlorobenzenesulfonylamino)-N-(4-methoxycarbonylbutyl)-3-(tetrahydropyran-2-yloxy)propanamide 

Relevant articles and documents

Metadynamics for perspective drug design: Computationally driven synthesis of new protein-protein interaction inhibitors targeting the EphA2 receptor

Metadynamics (META-D) is emerging as a powerful method for the computation of the multidimensional freeenergy surface (FES) describing the protein-ligand binding process. Herein, the FES of unbinding of the antagonist N-(3α-hydroxy-5β-cholan-24-oyl)-L-β-homotryptophan (UniPR129) from its EphA2 receptor was reconstructed by META-D simulations. The characterization of the free-energy minima identified on this FES proposes a binding mode fully consistent with previously reported and new structure-activity relationship data. To validate this binding mode, new N-(3α-hydroxy-5β-cholan-24-oyl)-L-β-homotryptophan derivatives were designed, synthesized, and tested for their ability to displace ephrin-A1 from the EphA2 receptor. Among them, two antagonists, namely compounds 21 and 22, displayed high affinity versus the EphA2 receptor and resulted endowed with better physicochemical and pharmacokinetic properties than the parent compound. These findings highlight the importance of free-energy calculations in drug design, confirming that META-D simulations can be used to successfully design novel bioactive compounds.

Compound and application thereof in preparation of medicines for resisting inflammation and treating acute lung injury, chronic obstructive pulmonary disease, asthma or pulmonary fibrosis

The invention provides a compound and application thereof in preparation of medicines for resisting inflammation and treating acute lung injury, chronic obstructive pulmonary disease, asthma or pulmonary fibrosis. The general structural formula of the com

Oxidative damage of proline residues by nitrate radicals (NO3): A kinetic and product study

Tertiary amides, such as in N-acylated proline or N-methyl glycine residues, react rapidly with nitrate radicals (NO3) with absolute rate coefficients in the range of 4-7 × 108 M-1 s-1 in acetonitrile. The major pathway proceeds through oxidative electron transfer (ET) at nitrogen, whereas hydrogen abstraction is only a minor contributor under these conditions. However, steric hindrance at the amide, for example by alkyl side chains at the α-carbon, lowers the rate coefficient by up to 75%, indicating that NO3-induced oxidation of amide bonds proceeds through initial formation of a charge transfer complex. Furthermore, the rate of oxidative damage of proline and N-methyl glycine is significantly influenced by its position in a peptide. Thus, neighbouring peptide bonds, particularly in the N-direction, reduce the electron density at the tertiary amide, which slows down the rate of ET by up to one order of magnitude. The results from these model studies suggest that the susceptibility of proline residues in peptides to radical-induced oxidative damage should be considerably reduced, compared with the single amino acid.

From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4

Fatty acid binding protein 4 (FABP4) plays a critical role in metabolism and inflammatory processes and therefore is a potential therapeutic target for immunometabolic diseases such as diabetes and atherosclerosis. Herein, we reported the identification of naphthalene-1-sulfonamide derivatives as novel, potent and selective FABP4 inhibitors by applying a structure-based design strategy. The binding affinities of compounds 16dk, 16do and 16du to FABP4, at the molecular level, are equivalent to or even better than that of BMS309403. The X-ray crystallography complemented by the isothermal titration calorimetry studies revealed the binding mode of this series of inhibitors and the pivotal network of ordered water molecules in the binding pocket of FABP4. Moreover, compounds 16dk and 16do showed good metabolic stabilities in liver microsomes. Further extensive in vivo study demonstrated that 16dk and 16do exhibited a dramatic improvement in glucose and lipid metabolism, by decreasing fasting blood glucose and serum lipid levels, enhancing insulin sensitivity, and ameliorating hepatic steatosis in obese diabetic (db/db) mice.