178445-83-5

Basic information

• Product Name: 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE
• Synonyms: 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE;3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propenone;3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one;1-Propanone,3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-
• CAS NO: 178445-83-5
• Molecular Formula: C₁₇H₁₈O₄
• Molecular Weight: 286.32
• Mol File: 178445-83-5.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 479.1°Cat760mmHg
• Flash Point: 175.8°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 8.41E-10mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 9.12±0.10(Predicted)
• CAS DataBase Reference: 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE(178445-83-5)
• EPA Substance Registry System: 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE(178445-83-5)

Safety Data

• Hazard Codes: F
• Hazardous Substances Data: 178445-83-5(Hazardous Substances Data)

Usage

Description

3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE is a chemical compound characterized by its molecular formula C16H16O4. It is a derivative of propiophenone, featuring a propyl chain connected to a phenyl ring with methoxy and hydroxy substituents. 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE holds potential pharmaceutical applications due to its structural similarity to naturally occurring biologically active compounds. It is hypothesized to have antioxidant, anti-inflammatory, and other pharmacological properties, although further research is necessary to confirm its full spectrum of potential uses and effects.

Uses

Used in Pharmaceutical Industry:
3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE is used as a potential pharmaceutical agent for its possible antioxidant and anti-inflammatory properties. Its structural resemblance to natural compounds with known biological activities suggests that it may offer therapeutic benefits in treating various conditions related to oxidative stress and inflammation.
Used in Research and Development:
In the field of scientific research, 3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPANONE serves as a subject of study for understanding its pharmacological properties and potential applications. Researchers are investigating its effects on different biological systems to determine its safety, efficacy, and optimal use in medical treatments.

InChI:InChI=1/C17H18O4/c1-20-16-9-7-12(10-17(16)21-2)6-8-15(19)13-4-3-5-14(18)11-13/h3-5,7,9-11,18H,6,8H2,1-2H3

Upstream product

• 66281-70-7 (E)-3-(3,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one 
• 215168-57-3 3,4-dimethoxy-3’-hydroxychalcone 
• 120-14-9 3,4-dimethoxy-benzaldehyde 
• 121-71-1 3-Hydroxyacetophenone 
• 178445-80-2 (E)-1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one 

Downstream Products

• 215168-93-7 3-(3,4-dimethoxy-phenyl)-1-[3-(3-{3-[3-(3,4-dimethoxy-phenyl)-propionyl]-phenoxy}-2-hydroxy-propoxy)-phenyl]-propan-1-one 
• 1392284-65-9 C₄₄H₅₇N₃O₁₀ 
• 178445-89-1 (R)-1-(3-(tert-butoxycarbonylmethoxy)phenyl)-3-(3,4-dimethoxyphenyl)-propan-1-ol 
• 215169-02-1 C₆₉H₉₆N₂O₁₅Si 
• 215168-99-3 (R,R)-1,11-bis[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]-3,6,9-trioxaundecane 
• 215169-01-0 (R,R)-1,10-bis[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]-4,7-diaza-3,8-dioxadodecane 
• 215168-95-9 (R,R)-[2-[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]-1-[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxymethyl]ethoxy]dimethyl-(1,1-dimethylethyl)silane 
• 215168-94-8 1-[3-(2-(tert-butyl-dimethyl-silanyloxy)-3-{3-[3-(3,4-dimethoxy-phenyl)-propionyl]-phenoxy}-propoxy)-phenyl]-3-(3,4-dimethoxy-phenyl)-propan-1-one 
• 215168-97-1 (R,R)-1,8-bis[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]-3,6-dioxaoctane 
• 215168-84-6 (1R)-1-[3-[2-[N-(tert-butoxycarbonyl)ethanamine]phenoxy-3-(3,4-dimethoxyphenyl)-1-propanyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate 

Relevant articles and documents

Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity

Subtype selectivity represents a challenge in many drug discovery campaigns. A typical example is the FK506 binding protein 51 (FKBP51), which has emerged as an attractive drug target. The most advanced FKBP51 ligands of the SAFit class are highly selective vs. FKBP52 but poorly discriminate against the homologs and off-targets FKBP12 and FKBP12.6. During a macrocyclization pilot study, we observed that many of these macrocyclic analogs have unanticipated and unprecedented preference for FKBP51 over FKBP12 and FKBP12.6. Structural studies revealed that these macrocycles bind with a new binding mode featuring a transient conformation, which is disfavored for the small FKBPs. Using a conformation-sensitive assay we show that this binding mode occurs in solution and is characteristic for this new class of compounds. The discovered macrocycles are non-immunosuppressive, engage FKBP51 in cells, and block the cellular effect of FKBP51 on IKKα. Our findings provide a new chemical scaffold for improved FKBP51 ligands and the structural basis for enhanced selectivity.

Natural scaffolds-inspired synthesis of CF3-substituted macrolides enabled by Rh-catalyzed C–H alkylation macrocyclization

The development of innovative strategies and methods to provide natural product-like macrocycles not accessible by biosynthesis, but endowed with novel bioactivities and simplified structure, is highly desirable. Inspired by the key scaffolds of rapamycin

PROTEIN-BINDING COMPOUNDS

The technology relates in part to compounds that bind to proteins. In certain examples, the compounds can bind to proteins that bind to rapamycin. In some examples, the compounds can bind to cellular proteins, and/or variant forms of cellular proteins, th