Cas no 2227847-13-2 ((3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid)

(3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid is a chiral β-hydroxy acid derivative featuring a pyrazole core, offering a versatile scaffold for synthetic and medicinal chemistry applications. The stereospecific (3S) configuration ensures high enantiomeric purity, making it valuable for asymmetric synthesis and drug development. Its hydroxypropanoic acid moiety enhances solubility and reactivity, while the ethyl and dimethyl substitutions on the pyrazole ring contribute to steric and electronic modulation. This compound is particularly useful as an intermediate in the synthesis of biologically active molecules, including enzyme inhibitors and receptor modulators. Its structural features enable precise functionalization, supporting research in pharmacophore design and molecular optimization.
(3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid structure
2227847-13-2 structure
Product Name:(3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid
CAS No:2227847-13-2
MF:C10H16N2O3
MW:212.245642662048
CID:5758781
PubChem ID:165842891
Update Time:2025-11-02

(3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid Chemical and Physical Properties

Names and Identifiers

    • EN300-1787308
    • (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid
    • 2227847-13-2
    • Inchi: 1S/C10H16N2O3/c1-4-12-7(3)10(6(2)11-12)8(13)5-9(14)15/h8,13H,4-5H2,1-3H3,(H,14,15)/t8-/m0/s1
    • InChI Key: YGIVRSCLKFAYCP-QMMMGPOBSA-N
    • SMILES: O[C@@H](CC(=O)O)C1C(C)=NN(CC)C=1C

Computed Properties

  • Exact Mass: 212.11609238g/mol
  • Monoisotopic Mass: 212.11609238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 235
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 75.4?2

(3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid Pricemore >>

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Additional information on (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid

Comprehensive Overview of (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid (CAS No. 2227847-13-2)

(3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid is a specialized organic compound with significant potential in pharmaceutical and biochemical research. This chiral molecule, identified by its CAS number 2227847-13-2, features a unique pyrazole ring substituted with ethyl and methyl groups, coupled with a hydroxypropanoic acid moiety. Its structural complexity makes it a valuable intermediate for drug discovery, particularly in the development of enzyme inhibitors and receptor modulators.

The compound's 3-hydroxypropanoic acid backbone is a critical functional group that enhances its solubility in polar solvents, facilitating its use in aqueous reaction systems. Researchers are increasingly interested in this molecule due to its potential applications in metabolic pathway modulation and anti-inflammatory drug development, topics currently trending in medicinal chemistry circles. The 1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl component contributes to its steric and electronic properties, which are crucial for target specificity in drug design.

Current market trends show growing demand for chiral building blocks like (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid, as pharmaceutical companies seek more enantiomerically pure compounds to reduce side effects in drug formulations. This aligns with the industry's shift toward precision medicine, where molecular specificity is paramount. Analytical techniques such as HPLC and chiral chromatography are essential for characterizing this compound's purity and stereochemical configuration.

From a synthetic chemistry perspective, the preparation of CAS 2227847-13-2 typically involves asymmetric synthesis routes to ensure the desired (3S) configuration. Recent publications highlight innovative catalytic methods for constructing its pyrazole core, reflecting the broader research focus on heterocyclic compound synthesis. The compound's stability under physiological conditions makes it particularly interesting for prodrug development, another hot topic in pharmaceutical sciences.

In biochemical applications, (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid has shown promise as a potential modulator of metabolic enzymes. Its structural features resemble natural substrates of certain dehydrogenase enzymes, making it a candidate for investigating metabolic disorders. This connection to metabolic disease research positions the compound at the intersection of chemistry and biology, areas receiving substantial research funding globally.

The commercial availability of 2227847-13-2 through specialty chemical suppliers has expanded in recent years, reflecting its growing importance in drug discovery pipelines. Pricing trends indicate moderate costs for research quantities, with bulk pricing available for developmental projects. Storage recommendations typically suggest cool, dry conditions to maintain the compound's stability, especially given its hydroxypropanoic acid functionality.

From a regulatory standpoint, (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid is not currently classified under restricted categories, making it accessible for legitimate research purposes. However, researchers should consult local regulations regarding its use, particularly in jurisdictions with stringent controls on pharmaceutical intermediates. The compound's safety profile, as indicated by preliminary studies, suggests standard laboratory handling precautions are sufficient.

Future research directions for CAS 2227847-13-2 may explore its potential in biocatalysis and green chemistry applications, aligning with the pharmaceutical industry's sustainability goals. The compound's modular structure lends itself to derivatization, offering opportunities to develop novel analogs with improved pharmacological properties. These aspects make it particularly relevant to current discussions about sustainable drug discovery and molecular diversity.

In summary, (3S)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid represents an important chemical entity in modern drug research. Its unique structural features, combined with growing interest in chiral pharmaceuticals and targeted therapies, ensure its continued relevance in scientific investigations. As research into its biological activities progresses, this compound may emerge as a key player in developing new therapeutic agents for various medical conditions.

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