887572-34-1

Basic information

• Product Name: 6-CHLORO-4-ETHOXYNICOTINIC ACID
• Synonyms: 6-CHLORO-4-ETHOXYNICOTINIC ACID;6-chloro-4-ethoxypyridine-3-carboxylic acid;6-Chloro-4-ethoxy-3-pyridinecarboxylic acid
• CAS NO: 887572-34-1
• Molecular Formula: C8H8ClNO3
• Molecular Weight: 201.61
• Mol File: 887572-34-1.mol

Chemical Properties

• Boiling Point: 357.8°C at 760 mmHg
• Flash Point: 170.2°C
• Appearance: /
• Density: 1.365±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 9.63E-06mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.25±0.10(Predicted)
• CAS DataBase Reference: 6-CHLORO-4-ETHOXYNICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-4-ETHOXYNICOTINIC ACID(887572-34-1)
• EPA Substance Registry System: 6-CHLORO-4-ETHOXYNICOTINIC ACID(887572-34-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-37/39
• Hazardous Substances Data: 887572-34-1(Hazardous Substances Data)

Usage

Chemical Properties

White solid

InChI:InChI=1/C8H8ClNO3/c1-2-13-6-3-7(9)10-4-5(6)8(11)12/h3-4H,2H2,1H3,(H,11,12)

Upstream product

• 1830-54-2 3-oxopentanedioic acid dimethyl ester 
• 40296-47-7 4-Ethoxy-6-chlor-nicotinsaeure-ethylester 
• 73027-79-9 4,6-dichloro-nicotinic acid 
• 141-52-6 sodium ethanolate 
• 65973-52-6 methyl 4,6-dichloropyridine-3-carboxylate 
• 79398-27-9 methyl 4,6-dihydroxypyridine-3-carboxylate 

Downstream Products

• 1093955-41-9 C₁₀H₁₃ClN₂O₃ 

Relevant articles and documents

NOVEL BICYCLIC HETEROCYCLIC COMPOUND

Provided are a novel compound having a superior inhibitory action on KAT-II, a production method thereof, use thereof, and a pharmaceutical composition containing the aforementioned compound and the like. A compound represented by the formula (I) or a pharmacologically acceptable salt thereof. wherein each symbol is as defined in the DESCRIPTION.

Structure-based design of substituted piperidines as a new class of highly efficacious oral direct renin inhibitors

A cis-configured 3,5-disubstituted piperidine direct renin inhibitor, (syn,rac)-1, was discovered as a high-throughput screening hit from a target-family tailored library. Optimization of both the prime and the nonprime site residues flanking the central piperidine transition-state surrogate resulted in analogues with improved potency and pharmacokinetic (PK) properties, culminating in the identification of the 4-hydroxy-3,5-substituted piperidine 31. This compound showed high in vitro potency toward human renin with excellent off-target selectivity, 60% oral bioavailability in rat, and dose-dependent blood pressure lowering effects in the double-transgenic rat model.

ORGANIC COMPOUNDS

The present invention relates to a compound of the formula I wherein R1, R2, R3, R4 and R5 are as defined in the specification, for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations a compound of that class; a method of treatment comprising administering a compound of that class and a method for its manufacture.