82768-84-1

Basic information

• Product Name: 2-[N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• Synonyms: 3-isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-
• CAS NO: 82768-84-1
• Molecular Formula: C₂₅H₃₀N₂O₅
• Molecular Weight: 438.5161
• Mol File: 82768-84-1.mol

Chemical Properties

• Boiling Point: 662°C at 760 mmHg
• Flash Point: 354.1°C
• Density: 1.217g/cm³
• Vapor Pressure: 2E-18mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 2-[N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(82768-84-1)
• EPA Substance Registry System: 2-[N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(82768-84-1)

Safety Data

• Hazardous Substances Data: 82768-84-1(Hazardous Substances Data)

Usage

Functional Groups

Alanyl group: Contains an amino acid derivative.
Tetrahydroisoquinoline ring: A bicyclic ring system.
Carboxylic acid group: Provides acidity and potential reactivity.
Ethoxy group: An ether functional group (-OCH2CH3).
Ketone group: A carbonyl functional group (C=O).
Phenyl group: An aromatic ring (-C6H5).

Nature

Synthetic compound, not naturally occurring.

Potential Applications

Likely pharmaceutical or research applications due to its complex structure.

Specific Uses

Not specified, but its complex structure suggests potential utility in drug design, organic synthesis, or chemical research.

Properties

Molecular Formula: C26H31NO6
Molecular Weight: Approximately 453.54 g/mol
Structure: Complex and likely exhibits stereochemistry due to multiple chiral centers.
Solubility: May vary depending on specific functional groups and environment.
Stability: Stability under various conditions would need to be assessed experimentally.

Reactivity

Potential reactivity due to multiple functional groups, particularly the carboxylic acid and ketone groups.

Synthesis

Likely requires complex organic synthesis techniques to assemble its intricate structure.

Research Interest

Its complex structure may attract interest from organic chemists, pharmacologists, and researchers exploring novel compounds for various applications.

Upstream product

• 82586-56-9 tert-butyl (S)-2-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate 
• 82586-55-8 quinapril hydrochloride 
• 82586-54-7 quinapril benzyl ester 
• 82717-96-2 [1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine 
• 124492-03-1 N-[1(S)-ethoxycarbonyl-3-phenylpropyl]-(S)-alanine-2'-benzothiazolylthio ester 
• 74163-81-8 L-Tic-OH 
• 77497-74-6 (S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, 1,1-dimethylethyl ester 
• 877932-98-4 N-(1-ethoxycarbonyl-3-phenylpropyl)-L-alanine 
• 129178-93-4 L-alanine acid chloride 
• 64920-29-2 2-oxo-4-phenylbutanoic acid ethyl ester 
• 104-15-4 toluene-4-sulfonic acid 
• 80828-26-8 N-[1-(S)-(ethoxycarbonyl)-3-phenylpropyl]-L-alanine hydrochloride 

Downstream Products

• 82768-85-2 quinaprilate 

Relevant articles and documents

COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING SALT SENSITIVITY OF BLOOD PRESSURE

To characterize the urinary exosome miRNome, microarrays were used to identify the miRNA spectrum present within urinary exosomes from ten individuals that were previously classified for their salt sensitivity status. The present application discloses distinct patterns of selected exosomal miRNA expression that were different between salt-sensitive (SS), salt-resistant (SR), and inverse salt-sensitive (ISS) individuals. These miRNAs can be useful as biomarkers either individually or as panels comprising multiple miRNAs. The present invention provides compositions and methods for identifying, diagnosing, monitoring, and treating subjects with salt sensitivity of blood pressure. The applications discloses panels of miRNAs useful for comparing profiles, and in some cases one or more of the miRNAs in a panel can be used. The miRNAs useful for distinguishing SS and SR or ISS and SR subjects. One or more of the 45 miRNAs can be used. Some of the miRNAs have not been previously reported to be circulating. See those miRNAs with asterisks in FIG. 1 and below. The present invention encompasses the use of one or more of these markers for identifying and diagnosing SR, SS, and ISS subjects.

A PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES

The present invention provides a process for preparation of substantially pure 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, compound of formula I or its pharmaceutically acceptable salt comprising: a) subjecting compound of formula II or acid addition salt thereof to hydrogenolysis in aqueous medium in the presence of an acid; wherein Et represents ethyl group; Ar represents phenyl or substituted phenyl group and X and Y are independently selected from the group consisting of hydrogen, (C1-C3)-alkyl or O-(C1-C3)-alkyl or X and Y can be linked together to form a cyclic group -O(CH2)n-O-, wherein n =1or 2. b) extracting the product from the reaction mixture with water immiscible organicsolvent to form an organic extract. c) isolating the compound of formula I or its solvate as a pharmaceutically acceptable salt thereof.

2′-Benzothiazolylthioesters of N-substituted alpha amino acids: Versatile intermediates for synthesis of ACE inhibitors

ACE inhibitors have been synthesized from novel active esters using simple reaction conditions in high diastereomeric selectivity. The active esters may be obtained from the corresponding carboxylic acids or their acid chlorides.

Effects of a citrate buffer system on the solid-state chemical stability of lyophilized quinapril preparations

Purpose. The objective of this study was to examine the effect of a citric acid-citrate buffer system on the chemical instability of lyophilized amorphous samples of quinapril hydrochloride (QHC1). Methods. Molecular dispersions of QHCI and citric acid were prepared by colyophilization from their corresponding aqueous solutions with a molar ratio of QHCl to citric acid from 1:1 to 6:1 and solution pH from 2.49 to 3.05. Solid samples were subjected to a temperature of 80°C and were analyzed for degradation using high-performance liquid chromatography. The glass transition temperature, Tg, of all samples was measured by differential scanning calorimetry. Results. Samples were first examined by varying the Tg and maintaining the initial solution pH constant. At pH 2.49 the rate of reaction was found to be less dependent on the sample Tg, whereas at pH ≥2.75 the rate decreased with an increase in Tg. In a second set of experiments at a constant Tg of ～70°C, the reaction rate increased as the pH increased. Conclusion. The overall solid-state chemical reactivity of amorphous quinapril depends on the relative amount of QHCl and Q+-, the zwitterionic form of quinapril. At high proportions of Q+- (higher pH values) the reaction rate seems to be strongly influenced by the Tg of the mixture, and hence the molecular mobility, whereas at higher proportions of QHCl (lower pH) the reaction rate is less sensitive to Tg, presumably because of different mechanistic rate determining steps for the two sets of conditions.

Decahydroisoquinoline carboxylic acids

What are disclosed are aminoacid compounds of the formula STR1 wherein n is 0 or 1, and salts thereof, said compounds and salts having hypotensive properties; methods for making the compounds; pharmaceutical compositions containing the compounds or salts;