942145-77-9

Basic information

• Product Name: Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
• Synonyms: Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester;1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID 1-METHYLETHYL ESTER;Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
• CAS NO: 942145-77-9
• Molecular Formula: C₁₈H₂₂N₂O₂
• Molecular Weight: 298.38
• Mol File: 942145-77-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 492.3°C at 760 mmHg
• Flash Point: 251.5°C
• Appearance: /
• Density: 1.133g/cm³
• Vapor Pressure: 7.81E-10mmHg at 25°C
• Refractive Index: 1.581
• PKA: 18.26±0.60(Predicted)
• CAS DataBase Reference: Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester(942145-77-9)
• EPA Substance Registry System: Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester(942145-77-9)

Safety Data

• Hazardous Substances Data: 942145-77-9(Hazardous Substances Data)

Usage

General Description

Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester is a chemical compound that belongs to the class of indole derivatives. It is commonly used as an intermediate in the synthesis of pharmaceutical drugs and other organic compounds. This chemical compound can be used in the production of various medications, including those used for the treatment of neurological disorders, cancer, and infectious diseases. Additionally, it may also have potential applications in the fields of agricultural chemicals and materials science. Overall, this chemical compound has versatile applications and plays a crucial role in the development of new drug compounds and other important products.

InChI:InChI=1/C18H22N2O2/c1-11(2)22-17(21)13-9-19-10-18(3,4)15-12-7-5-6-8-14(12)20-16(13)15/h5-9,11,19-20H,10H2,1-4H3

Upstream product

• 1227748-44-8 isopropyl 1-(bromomethyl)-4,4-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate 
• 1227748-49-3 isopropyl 1-(chloromethyl)-4,4-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate 
• 56417-63-1 iso-propyl 3-bromo-2-oxopropanoate 
• 15467-31-9 2-(1H-indol-3-yl)-2-methylpropane-1-amine 

Downstream Products

• 1116066-81-9 isopropyl 3-(4-fluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate 
• 629664-81-9 Turofexorate isopropyl 
• 1207988-18-8 isopropyl 3-[4-(2-chloroethyl)benzoyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate 
• 1207988-16-6 isopropyl 3-(4-(chloromethyl)benzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate 
• 942146-33-0 isopropyl 3-(3-(chloromethyl)benzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate 

Relevant articles and documents

Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR)

Azepino[4,5-b]indoles have been identified as potent agonists of the farnesoid X receptor (FXR). In vitro and in vivo optimization has led to the discovery of 6m (XL335, WAY-362450) as a potent, selective, and orally bioavailable FXR agonist (EC50 = 4 nM, Eff = 149%). Oral administration of 6m to LDLR-/- mice results in lowering of cholesterol and triglycerides. Chronic administration in an atherosclerosis model results in significant reduction in aortic arch lesions.