DL-4-Hydroxyphenyllactic Acid - Moligand™, ≥98%(HPLC)(T) , CAS No.306-23-0

CAS: 306-23-0 Cat. No.: S160986 分子式: C₉H₁₀O₄ 分子量: 182.18 Beilstein Registry Number: 10(3)1524 EC番号: 679-910-0 PubChem CID: 9378

GRADE & PURITY Moligand™, ≥98%(HPLC)(T)

Synonyms

4-ISOTHIOCYANATOBENZOYL-DL-HOMOSERINELACTONE | Benzenepropanoic acid, alpha,4-dihydroxy- | .beta.-(4-Hydroxyphenyl)lactic acid | AKOS000283821 | 3-(4-Hydroxyphenyl)-DL-lactic acid | beta-(p-Hydroxyphenyl)-DL-lactate | .BETA.-(P-HYDROXYPHENYL)-DL-LACTIC AC

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

DL-p-Hydroxyphenyllactic acid is a precursor in the synthesis of rosmarinic acid that can be used for pharmaceutical and nutraceutical applications. It also exhibits antifungal activity.

Specifications

同義語

4-ISOTHIOCYANATOBENZOYL-DL-HOMOSERINELACTONE | Benzenepropanoic acid, alpha,4-dihydroxy- | .beta.-(4-Hydroxyphenyl)lactic acid | AKOS000283821 | 3-(4-Hydroxyphenyl)-DL-lactic acid | beta-(p-Hydroxyphenyl)-DL-lactate | .BETA.-(P-HYDROXYPHENYL)-DL-LACTIC AC

仕様と純度

Moligand™, ≥98%(HPLC)(T)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%(HPLC)(T)

名前と識別子

• パブケム・シド: 488180970
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180970
• カノニカル・スマイル: C1=CC(=CC=C1CC(C(=O)O)O)O
• IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: JVGVDSSUAVXRDY-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
• 異性体SMILES: C1=CC(=CC=C1CC(C(=O)O)O)O
• WGKドイツ: 3
• 代替CAS番号: 6482-98-0
• PubChem CID: 9378
• 分子量: 182.18
• Beilstein: 10(3)1524
• Reaxy-Rn: 2693719

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: phenols - 2-hydroxy carboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（非人間）

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 182.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Xiaomin Yuan, Biqing Chen, Zhenglan Duan, Ziqian Xia, Yang Ding, Tuo Chen, Huize Liu, Baosheng Wang, Bolin Yang, Xiaoyong Wang, Shijia Liu, Jin-Yong Zhou, Yajun Liu, Qiong Wang, Zhaofeng Shen, Jun Xiao, Hongtao Shang, Weiwei Liu, Guoping Shi, Lei Zhu, Yugen Chen.  (2021)  Depression and anxiety in patients with active ulcerative colitis: crosstalk of gut microbiota, metabolomics and proteomics.  Gut Microbes,      [PMID:34806521] [10.1080/19490976.2021.1987779]

2. Zhuang Yibin, Jiang Jingjie, Bi Huiping, Yin Hua, Liu Shaowei, Liu Tao.  (2015)  Synthesis of rosmarinic acid analogues in Escherichia coli.  BIOTECHNOLOGY LETTERS,  38  (4): (619-627).  [PMID:26667131] [10.1007/s10529-015-2011-1]

3. Qiang Wang, Feng Zhang, Yuhong Zhang, Yu Zhang, Hongwei Wang, Jiajia Song, Huayi Suo.  (2024)  A novel strain Lactiplantibacillus plantarum LPP95 isolated from Chinese pickles: Antifungal effect, mechanism, and potential application in yogurt.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.103640]

4. Kai Yang, Zhenjie Tang, Chong Zhang, Ruide Zhang, Sheng Hu, Changjiang Lv, Jun Huang, Jiaqi Mei, Weirui Zhao, Lehe Mei.  (2025)  Developing a highly efficient 4-hydroxyphenylacetate-3-hydroxylase for salvianic acid A synthesis by computer-aided molecular modification.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39864709] [10.1016/j.ijbiomac.2025.140313]