444892-03-9

Basic information

• Product Name: Piperazine,3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)-
• Synonyms: 1-Benzyl-3(R)-isobutylpiperazine
• CAS NO: 444892-03-9
• Molecular Formula: C₁₅H₂₄N₂
• Molecular Weight: 232.3645
• Product Categories: pharmacetical
• Mol File: 444892-03-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 326.2°C at 760 mmHg
• Flash Point: 114.8°C
• Appearance: /
• Density: 0.956g/cm³
• Vapor Pressure: 0.000219mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: Piperazine,3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Piperazine,3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)-(444892-03-9)
• EPA Substance Registry System: Piperazine,3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)-(444892-03-9)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 444892-03-9(Hazardous Substances Data)

Usage

General Description

Piperazine, 3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)-, also known as 3-((S)-2-(tert-butyl)ethyl)-1-benzylpiperazine, is a chemical compound with the molecular formula C19H28N2. It is a piperazine derivative with a phenylmethyl group attached to the nitrogen atom, and a 3S stereochemistry. Piperazine,3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)- is often used in the synthesis of pharmaceuticals and organic compounds. Its specific properties and potential uses depend on its stereochemistry and the presence of functional groups, and it may have applications in the pharmaceutical industry and in chemical research.

InChI:InChI=1/C15H24N2/c1-13(2)10-15-12-17(9-8-16-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1

Upstream product

• 102115-71-9 2-chloro-N-[(S)[1-methoxycarbonyl-3-methyl] butyl] ethanamide 
• 2666-93-5 (S)-Leu-OMe 
• 100-46-9 benzylamine 
• 13139-15-6 N-tert-butoxycarbonyl-L-leucine 
• 502482-25-9 (3S)-1-benzyl-3-isobutylpiperazine-2,5-dione 

Downstream Products

• 1018829-32-7 (2S)-4-benzyl-1-(4-bromo-3-methylphenyl)-2-isobutylpiperazine 
• 674792-00-8 (S)-tert-butyl 2-isobutyl-4-benzylpiperazine-1-carboxylate 

Relevant articles and documents

Structure-Activity Relationship Studies on Oxazolo[3,4- a]pyrazine Derivatives Leading to the Discovery of a Novel Neuropeptide S Receptor Antagonist with Potent in Vivo Activity

Neuropeptide S modulates important neurobiological functions including locomotion, anxiety, and drug abuse through interaction with its G protein-coupled receptor known as neuropeptide S receptor (NPSR). NPSR antagonists are potentially useful for the treatment of substance abuse disorders against which there is an urgent need for new effective therapeutic approaches. Potent NPSR antagonists in vitro have been discovered which, however, require further optimization of their in vivo pharmacological profile. This work describes a new series of NPSR antagonists of the oxazolo[3,4-a]pyrazine class. The guanidine derivative 16 exhibited nanomolar activity in vitro and 5-fold improved potency in vivo compared to SHA-68, a reference pharmacological tool in this field. Compound 16 can be considered a new tool for research studies on the translational potential of the NPSergic system. An in-depth molecular modeling investigation was also performed to gain new insights into the observed structure-activity relationships and provide an updated model of ligand/NPSR interactions.

Synthesis and structure of 1,4-dipiperazino benzenes: Chiral terphenyl-type peptide helix mimetics

(Chemical Equation Presented) The terphenyl structure has been proven to be an ideal scaffold mimicking side-chain functionalities of peptidic α-helices. The synthesis of 1,4-dipiperazino benzenes, using stepwise transition metal-catalyzed N-arylation of chiral piperazines to a central benzene core is reported. The structure determination by X-ray crystallography reveals a geometrical arrangement of the hydrophobic side chains resembling the orientation of key i, i + 3, and i + 7 positions in a peptidic α-helix or in terphenyl helix mimetics.

PIPERAZINE UREA DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS

Certain novel piperazine urea derivatives are agonists of the human melanocortin-4 receptor (MC-4R) and, in particular, are receptor-subtype selective agonists of MC-4R. They are useful for the treatment, control, or prevention of diseases and disorders r