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(R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID is a chiral chemical compound characterized by a butyric acid molecule with a 3,4,5-trimethoxyphenyl group attached to it. It features two enantiomers, (R)and (S)-2-(3,4,5-trimethoxyphenyl)butyric acid, and has garnered attention in the field of medicinal chemistry due to its potential pharmaceutical properties, such as anti-inflammatory and neuroprotective effects. (R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID is also under investigation for its possible therapeutic applications in treating neurodegenerative conditions like Alzheimer's and Parkinson's diseases.

195202-06-3

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195202-06-3 Usage

Uses

Used in Pharmaceutical Industry:
(R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID is used as a potential therapeutic agent for its anti-inflammatory properties, which can be beneficial in managing inflammation-related conditions.
(R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID is used as a neuroprotective agent for its potential to shield the nervous system from damage, making it a candidate for treating neurodegenerative diseases.
Used in Alzheimer's Disease Treatment:
(R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID is used as a candidate drug for Alzheimer's disease treatment, given its potential to address the underlying pathological mechanisms of the condition.
Used in Parkinson's Disease Treatment:
(R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID is used as a candidate drug for Parkinson's disease treatment, due to its possible role in mitigating the disease's symptoms and progression.
These applications highlight the compound's versatility and the ongoing research into its efficacy and safety in various medical contexts.

Check Digit Verification of cas no

The CAS Registry Mumber 195202-06-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,5,2,0 and 2 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 195202-06:
(8*1)+(7*9)+(6*5)+(5*2)+(4*0)+(3*2)+(2*0)+(1*6)=123
123 % 10 = 3
So 195202-06-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H18O5/c1-5-9(13(14)15)8-6-10(16-2)12(18-4)11(7-8)17-3/h6-7,9H,5H2,1-4H3,(H,14,15)

195202-06-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (R/S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID

1.2 Other means of identification

Product number -
Other names Buibuilactone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:195202-06-3 SDS

195202-06-3Relevant academic research and scientific papers

Design and Combinatorial Development of Shield-1 Peptide Mimetics Binding to Destabilized FKBP12

Bols, Mikael,Diness, Frederik,J?rgensen, Frederik P.,Madsen, Daniel,Meldal, Morten,Olsen, Jakob V.,Palmer, Daniel,Roux, Milena E.,Schoffelen, Sanne

supporting information, (2020/03/10)

On the basis of computational design, a focused one-bead one-compound library has been prepared on microparticle-encoded PEGA1900 beads consisting of small tripeptides with a triazole-capped N-terminal. The library was screened towards a double

Synthetic process of homodimer of FKBP ligand

-

Paragraph 0030; 0041-0043, (2019/05/28)

The invention discloses a synthesis process of homodimer of FKBP ligand and belongs to an improved synthesis process of AP1903, wherein the homodimer of FKBP ligand refers to AP1903. According to theoptimized route of the synthesis process chooses, (S)-piperidine-2-methyl formate is connected to the compound Cpd9' as selected, an acid Cpd6' obtained after ester hydrolysis is easier to be purified by post-treatment purification, and precipitation or extraction treatment can be chosen by the post-treatment purification. Although the total reaction steps of the synthetic route in the prior literature are the same as the optimized route of the invention, the synthetic route in the prior literature belongs to the vertical route, and the post-treatment of the fifth, sixth and eighth steps requires column chromatography, thereby leading to a higher research and development cost. The optimized AP1903 synthetic route belongs to the parallel route, and the post-treatment is simpler and more advantageous for separation and purification, so that the cost of research and development is relatively low and the economic benefit is obviously superior to that of the synthetic route in the prior art.

METHODS AND COMPOSITIONS FOR THE SYNTHESIS OF MULTIMERIZING AGENTS

-

Page/Page column 11, (2012/08/08)

The invention features methods and compositions for the synthesis of multimerizing agents.

Materials and methods involving conditional retention domains

-

, (2008/06/13)

Materials and methods involving conditional retention domains (CRDs) are disclosed. Also disclosed are fusion proteins containing CRDs and cells expressing such fusion proteins. In addition, the invention provides novel methods for producing target proteins in vivo using fusion proteins containing conditional retention domains and methods for identifying novel CRDs.

Investigating protein-ligand interactions with a mutant FKBP possessing a designed specificity pocket

Yang, Wu,Rozamus, Leonard W.,Narula, Surinder,Rollins, Carl T.,Yuan, Ruth,Andrade, Lawrence J.,Ram, Mary K.,Phillips, Thomas B.,Van Schravendijk, Marie Rose,Dalgarno, David,Clackson, Tim,Holt, Dennis A.

, p. 1135 - 1142 (2007/10/03)

Using structure-based design and protein mutagenesis we have remodeled the FKBP12 ligand binding site to include a sizable, hydrophobic specificity pocket. This mutant (F36V-FKBP) is capable of binding, with low or subnanomolar affinities, novel synthetic ligands possessing designed substituents that sterically prevent binding to the wild-type protein. Using binding and structural analysis of bumped compounds, we show here that the pocket is highly promiscuous - capable of binding a range of hydrophobic alkyl and aryl moieties with comparable affinity. Ligand affinity therefore appears largely insensitive to the degree of occupancy or quality of packing of the pocket. NMR spectroscopic analysis indicates that similar ligands can adopt radically different binding modes, thus complicating the interpretation of structure-activity relationships.

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