134599-45-4

Basic information

• Product Name: 4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID
• Synonyms: AKOS BC-2085;4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID;4-(2-Morpholin-4-yl-ethoxy)-benzoic acid ,97%;4-(2-Morpholinoethoxy)benzoic acid
• CAS NO: 134599-45-4
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.28
• EINECS: 604-604-1
• Mol File: 134599-45-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 428 °C at 760 mmHg
• Flash Point: 212.7 °C
• Appearance: /
• Density: 1.213 g/cm³
• Vapor Pressure: 4.34E-08mmHg at 25°C
• Refractive Index: 1.551
• Storage Temp.: 2-8°C
• PKA: 4.36±0.10(Predicted)
• CAS DataBase Reference: 4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID(134599-45-4)
• EPA Substance Registry System: 4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID(134599-45-4)

Safety Data

• Hazard Codes: Xi
• Statements: 41-20/22
• Safety Statements: 26-39-36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 134599-45-4(Hazardous Substances Data)

Usage

Chemical Properties

White powder

InChI:InChI=1/C13H17NO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H,15,16)

Upstream product

• 3240-94-6 N-(2-chlorethyl)morpholine 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 56850-91-0 methyl 4-(2-bromoethoxy)benzoate 
• 622-40-2 2-(morpholin-4-yl)ethanol 
• 1207988-29-1 benzyl 4-(2-morpholin-4-ylethoxy)benzoate 
• 3647-69-6 4-(2-chloroethyl)morpholine hydrochride 
• 92501-87-6 methyl 4-(2-morpholinoethoxy)benzoate 

Downstream Products

• 1228790-62-2 4-(2-morpholinoethoxy)benzoyl azide 
• 1170071-39-2 4-(2-(4-isocyanatophenoxy)ethyl)morpholine 
• 662116-65-6 6,7-dichloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-imidazo[4,5-b]pyridine 

Relevant articles and documents

C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS

The present invention relates to C-3 novel triterpenone with C-17 reverse amide compounds of Formula (I); and pharmaceutically acceptable salts thereof, wherein ring Formula (II), R1, R2, R3, R4, R5, R6, R7, 'n' and 'm' are as defined in Formula (I). The invention also relates to C-3 novel triterpenone with C-17 reverse amide derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.

1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS

Provided are certain 1,2,3,6- tetrahydroazepino[4,5-b]indole-5-carboxylate compounds which are useful for modulating the activity of nuclear receptors, such as farnesoid X receptors, and/or for the treatment, prevention, or amelioration diseases or disorders related to the activity of these receptors.

Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: Beneficial modulation of lipids in primates

In an effort to develop orally active farnesoid X receptor (FXR) agonists, a series of tetrahydroazepinoindoles with appended, solubilizing amine functionalities were synthesized. The crystal structure of the previously disclosed FXR agonist, 1 (FXR-450), aided in the design of compounds with tethered solubilizing functionalities designed to reach the solvent cavity around the hFXR receptor. These compounds were soluble in 0.5% methylcellulose/2% Tween-80 in water (MC/T) for oral administration. In vitro and in vivo optimization led to the identification, of 14dd and 14cc, which in a dosedependent fashion regulated low density lipoprotein, cholesterol (LDLc) in low density lipoprotein receptor knockout (LDLR-/-) mice. Compound 14cc was dosed in female rhesus monkeys for 4 weeks at 60 mg/kg daily in MC/T vehicle. After 7 days, triglyceride (TG) levels and very low density lipoprotein cholesterol (VLDLc) levels were significantly decreased and LDLc was decreased 63%. These data are the first to demonstrate the dramatic lowering of serum LDLc levels by a FXR agonist in primates and supports the potential utility of 14cc in treating dyslipidemia in humans beyond just TG lowering.