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(S)-3-Hydroxyglutarate ethyl, with the molecular formula C7H12O5, is a chemical compound that exists as a stereoisomer of 3-hydroxyglutaric acid. It is commonly found in certain fungi and bacteria and plays a crucial role in various biochemical pathways such as the Krebs cycle, fatty acid metabolism, and amino acid metabolism. (S)-3-HYDROXYGLUTARATE ETHYL also contributes to the regulation of gene expression and has been associated with diseases like cancer and neurodegenerative disorders.

95310-87-5

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95310-87-5 Usage

Uses

Used in Pharmaceutical Industry:
(S)-3-Hydroxyglutarate ethyl is used as a research compound for its potential implications in disease mechanisms. It aids in understanding the role of this chemical in gene regulation and its association with various diseases, including cancer and neurodegenerative disorders.
Used in Biochemical Research:
(S)-3-Hydroxyglutarate ethyl is used as an inhibitor of the enzyme isocitrate dehydrogenase, which is involved in cellular metabolism and has been linked to cancer development. This application helps researchers study the effects of inhibiting this enzyme on cellular processes and its potential role in disease progression.
Used in Metabolic Studies:
As a part of the Krebs cycle, fatty acid metabolism, and amino acid metabolism, (S)-3-hydroxyglutarate ethyl is used to study the intricacies of these metabolic pathways and their regulation. This knowledge can be applied to develop therapeutic strategies for metabolic disorders and other related health issues.

Check Digit Verification of cas no

The CAS Registry Mumber 95310-87-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,3,1 and 0 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 95310-87:
(7*9)+(6*5)+(5*3)+(4*1)+(3*0)+(2*8)+(1*7)=135
135 % 10 = 5
So 95310-87-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H12O5/c1-2-12-7(11)4-5(8)3-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1

95310-87-5SDS

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 5-ethoxy-3-hydroxy-5-oxopentanoic acid

1.2 Other means of identification

Product number -
Other names ethyl (S)-3-hydroxyglutarate

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:95310-87-5 SDS

95310-87-5Relevant academic research and scientific papers

Enantioselective hydrolysis of diethyl 3-hydroxyglutarate to ethyl (S)-3-hydroxyglutarate by immobilized Candida antarctica lipase B

Dong, Hua-Ping,Wang, Ya-Jun,Zheng, Yu-Guo

, p. 90 - 94 (2010)

Optically pure ethyl (S)-3-hydroxyglutarate [(S)-3-EHG] is used as a key precursor for synthesis of a variety of pharmaceutically important compounds. In this work, we established an efficient procedure for enantioselectively hydrolyzing diethyl 3-hydroxyglutarate (3-DHG) to optically active (S)-3-EHG employing immobilized Candida antarctica lipase B (Novozym 435). Under the optimized conditions: pH 7.0, agitation speed 200 rpm, temperature 40 °C, 3-DHG concentration 0.15 mol L-1, and enzyme loading 7 g L -1, (S)-3-EHG was prepared in above 95% ee value and 98.5% yield, and the reaction was free from external mass transfer and intra-particle diffusion limitations and kinetically controlled. The inhibitions of substrate (3-DHG) and product (3-EHG) were excluded because both displayed no decline in activity at elevated concentrations within the given ranges. In addition, ethanol, a byproduct of the reaction, inhibited lipase B following an uncompetitive inhibition pattern. The kinetic constants were obtained through non-linear regression, with values of Vmax 1.29 mmol min-1 g -1, Km 0.06 mol L-1, and Ki 0.37 mol L-1, respectively.

Integrated Biocatalysis in Multistep Drug Synthesis without Intermediate Isolation: A de Novo Approach toward a Rosuvastatin Key Building Block

Metzner, Richard,Hummel, Werner,Wetterich, Frank,K?nig, Burghard,Gr?ger, Harald

supporting information, p. 635 - 638 (2015/06/30)

In this contribution, we report the chemoenzymatic preparation of a key building block for the active pharmaceutical ingredient rosuvastatin, one of the "top 5 blockbuster drugs" with a worldwide market value of 6.25 billion USD in 2012, via a seven-step synthesis without isolation of intermediates and with incorporation of two highly efficient biotransformations. This chemoenzymatic process reaches excellent space-time yields by using high substrate concentrations (several hundred grams per liter), emphasizing the potential of biocatalysis for industrial processes related to pharmaceutical drug synthesis and the compatibility of enzyme chemistry with classical organic synthesis.

A chemoenzymatic approach to the stereocontrolled synthesis of the C1-C11 fragment of (+)-peloruside A

Schoenherr, Heike,Mollitor, Jan,Schneider, Christoph

experimental part, p. 3908 - 3918 (2010/09/05)

A highly efficient and diastereoselective synthesis of the C1C11 fragment of the marine natural product (+)-peloruside A has been developed. Through enzymatic desymmetrization of diethyl 3-hydroxyglutarate with lipase B from Candida antarctica a large-sca

A Practical Synthesis of (R) and (S) 3-Hydroxyglutaric Acid Monoesters by Enzymatic Hydrolysis with a Bacterial Esterase

Monteiro, Julieta,Braun, Jacques,Goffic, Francois Le

, p. 315 - 319 (2007/10/02)

The hemihydrolysis of diethyl-3-hydroxyglutarate with an industrial enzyme, "Esterase 30 000", in a biphasic system allows an efficient enantioselective synthesis of (R) and (S) 3-hydroxyglutaric acid ethyl and t-butyl monoesters in large scale and with excellent yield.

Bifunctional chiral synthons via biochemical methods. 5. Preparation of (S)-ethyl hydrogen-3-hydroxyglutarate, key intermediate to (R)-4-amino-3-hydroxybutyric acid and L-carnitine

Gopalan,Sih

, p. 5235 - 5238 (2007/10/02)

Microbial enantioselective hydrolysis of diethyl-3-hydroxyglutarate afforded (S)-ethyl hydrogen-3-hydroxyglutarate, which was transformed into (R)-4-amino-3-hydroxybutyric acid and L-carnitine, via a Curtius and Hunsdiecker rearrangement, respectively.

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