120991-60-8

Basic information

• Product Name: 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]-
• Synonyms: 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]-
• CAS NO: 120991-60-8
• Molecular Formula: C₂₃H₂₈N₂O₃
• Molecular Weight: 380.48002
• Mol File: 120991-60-8.mol

Chemical Properties

• Boiling Point: 518.3°Cat760mmHg
• Flash Point: 267.2°C
• Appearance: /
• Density: 1.148g/cm³
• Vapor Pressure: 7.6E-11mmHg at 25°C
• Refractive Index: 1.576
• PKA: 9.52±0.50(Predicted)
• CAS DataBase Reference: 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]-(120991-60-8)
• EPA Substance Registry System: 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]-(120991-60-8)

Safety Data

• Hazardous Substances Data: 120991-60-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]is used as a potential pharmaceutical agent for its possible biological activity. The presence of the amino group, methoxy phenyl group, and butyl chain may contribute to its interaction with biological targets, offering potential therapeutic benefits.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]serves as a subject of study for understanding its structure-activity relationships. This can lead to the development of new drugs with improved efficacy and selectivity.
Used in Drug Discovery:
1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(2-methoxyphenyl)propyl]methylamino]butyl]is utilized in drug discovery processes to identify new lead compounds. Its unique structural features may provide a foundation for the design of novel therapeutic agents with specific pharmacological profiles.

InChI:InChI=1/C23H28N2O3/c1-24(16-9-11-18-10-3-6-14-21(18)28-2)15-7-8-17-25-22(26)19-12-4-5-13-20(19)23(25)27/h3-6,10,12-14H,7-9,11,15-17H2,1-2H3

Upstream product

• 120991-80-2 N-<3-(2-methoxyphenyl)propyl>-1,4-diaminobutane 
• 85-44-9 phthalic anhydride 
• 64-18-6 formic acid 
• 120991-58-4 N-<4-(2-phthalimido)butyl>-3-(2-methoxyphenyl)-1-aminopropane 
• 18655-51-1 2-(3-Aminopropyl)-1-methoxybenzene 
• 1504-74-1 2-methoxycinnamaldehyde 
• 5394-18-3 2-(4-bromobutyl)isoindoline-1,3-dione 

Relevant articles and documents

N-(Phthalimidoalkyl) Derivatives of Serotonergic Agents: A Common Interaction at 5-HT1A Serotonin Binding Sites ?

Several classes of agents are known to bind at central 5-HT1a serotonin sites.In order to challenge the hypothesis that these agents bind in a relatively similar manner (i.e., share common aryl and terminal amine sites), we prepared N-(phthalimidobutyl) derivatives of examples of several such agents.With regard to arylpiperazines, we had previously shown that introduction of this functionality at the terminal amine is tolerated by the receptor and normally results in a significant (>10-fold) enhancement in affinity.The results of the present study show that this bulky functionality is also tolerated by the receptor when incorporated into examples of all other major classes of 5-HT1A agents (e.g., 2-aminotetralin, phenylalkylamine, indolylalkylamine, and (aryloxy)alkylamine derivatives).The length of the alkyl chain that separates the terminal amine from the phthalimido group is of major importance, and a four-carbon chain appears optimal.Alteration of the length of this chain can have a significant influence on affinity; decreasing the chain length from four to three carbon atoms can reduce affinity by an order of magnitude, and further shortening can have an even more pronounced effect.