359782-00-6

Basic information

• Product Name: (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one
• Synonyms: (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one;2H-Azepin-2-one, hexahydro-3-[(2-methylpropyl)amino]-, (3S)-
• CAS NO: 359782-00-6
• Molecular Formula: C₁₀H₂₀N₂O
• Molecular Weight: 184.28
• Mol File: 359782-00-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: 52-54 ºC
• Boiling Point: 341.2±35.0 °C(Predicted)
• Appearance: /
• Density: 0.97
• Refractive Index: 1.479
• PKA: 16.15±0.40(Predicted)
• CAS DataBase Reference: (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one(359782-00-6)
• EPA Substance Registry System: (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one(359782-00-6)

Safety Data

• Hazardous Substances Data: 359782-00-6(Hazardous Substances Data)

Usage

General Description

(3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one is a chemical compound with the molecular formula C11H21NO. It is a cyclic amine with a ketone functional group, and it is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. The compound has a six-membered ring structure and a chiral center, meaning it exists in two enantiomeric forms. Its (3S)-enantiomer is the naturally occurring form, and it has been studied for potential pharmacological properties. The chemical is commonly handled and stored in accordance with standard laboratory safety protocols.

InChI:InChI=1/C10H20N2O/c1-8(2)7-12-9-5-3-4-6-11-10(9)13/h8-9,12H,3-7H2,1-2H3,(H,11,13)/t9-/m0/s1

Upstream product

• 78-84-2 isobutyraldehyde 
• 21568-87-6 2-aminocaprolactam 

Downstream Products

• 500221-64-7 {5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexyl}-carbamic acid 9H-fluoren-9-ylmethyl ester 
• 449806-88-6 Nα-(4-aminobenzenesulfonyl)-Nα-isobutyl-L-lysine methyl ester 
• 652985-62-1 Nα-(4-aminobenzenesulfonyl)-Nα-isobutyl-L-lysine 
• 359780-60-2 Ts(iBu)-Lys(Fmoc)-OH 
• 359782-12-0 Nα-isobutyl-Nα-(4-nitrobenzenesulfonyl)-L-lysine 
• 449807-07-2 (S)-6-Amino-2-(benzenesulfonyl-isobutyl-amino)-hexanoic acid 
• 449806-99-9 (1S)-4-amino-N-(5-amino-1-hydroxymethyl-pentyl)-N-isobutyl-benzenesulfonamide 

Relevant articles and documents

Protease Inhibitors

The present invention provides HIV protease inhibitors of formulas I, IA, IB, Ib or II, or pharmaceutically acceptable salts thereof, wherein R2 may be, for example, 2-pyridyl-CH2—, 3-pyridyl-CH2—, 4-pyridyl-CH2—, a sulfonyl group as described in the formulas herein including benzenesulfonyl or thiophenesulfonyl groups, R2a—CO)—, R2a being selected from the group consisting of piperonyl, 2-pyranzinyl (unsubstituted or substituted with H, or an alkyl of 1 to 4 carbon atoms) or a picolylamine group as described herein, wherein R3 may be, for example, a phenyl group or diphenylmethyl group as described herein, and wherein Cx may be, for example, COOH, CONR5R6, CH2OH or CH2OR7.

Lysine sulfonamides as novel HIV-protease inhibitors: Nε-Acyl aromatic α-amino acids

A series of lysine sulfonamide analogues bearing Nε-acyl aromatic amino acids were synthesized using an efficient synthetic route. Evaluation of these novel protease inhibitors revealed compounds with high potency against wild-type and multiple-protease inhibitor-resistant HIV viruses.

Lysine based compounds

The present invention provides lysine based compounds of the formula; and when the compound of formula I comprises an amino group, pharmaceutically acceptable ammonium salts thereof, wherein R1 may be, for example, (HO)2P(O)—, (NaO)2P(O)—, alkyl-CO— or cycloalkyl-CO—, wherein X may be, for example, F, Cl, and Br, and wherein R2 and R3 are as defined herein.