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Basic Description
| Synonyms | phenylpyruvic acid | 156-06-9 | 2-Oxo-3-phenylpropanoic acid | 3-Phenylpyruvic acid | phenylpyruvate | Pyruvic acid, phenyl- | beta-Phenylpyruvic acid | Phenyl pyruvic acid | Benzenepropanoic acid, alpha-oxo- | Phenylpyroracemic acid | 3-Phenyl-2-oxopropanoic acid | 2-OXO-3-PH |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Usually used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpyruvic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyruvic acid derivatives |
| Alternative Parents | Phenylpropanoic acids Alpha-keto acids and derivatives Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpyruvate - 3-phenylpropanoic-acid - Keto acid - Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. |
| External Descriptors | 2-oxo monocarboxylic acid |
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Associated Targets(Human)
CSNK2A1
Tchem
Casein kinase II alpha (3512 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLC16A3
Tchem
Monocarboxylate transporter 4 (196 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Slc22a20
Solute carrier family 22 member 20 (86 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Slc22a6
Solute carrier family 22 member 6 (141 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 2-oxo-3-phenylpropanoic acid |
|---|---|
| INCHI | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
| InChIKey | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)CC(=O)C(=O)O |
| Isomeric SMILES | C1=CC=C(C=C1)CC(=O)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 997 |
| Molecular Weight | 164.16 |
| Beilstein | 2207312 |
| Reaxy-Rn | 2207312 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Light & Air & Heat Sensitive & Hygroscopic |
|---|---|
| Flash Point(°C) | 148.89℃ |
| Boil Point(°C) | 299.1°C at 760 mmHg |
| Melt Point(°C) | 150-154°C |
| Molecular Weight | 164.160 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.047 Da |
| Monoisotopic Mass | 164.047 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Huidong Xu, Qianqian Cheng, Yangyu Qiu, Jingjing Mao, Qinyi Ji, Mulan Zhu, Lili Zhang, Zhouping Wang, Aitao Li, Yu Xia. (2023) A Novel Strategy for Whole-Cell Biotransformation Enabling Simultaneous l-Phenyllactic Acid Production and Coenzyme Regeneration. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 71 (51): (20772–20781). |
| 2. Hongkai Xie, Wenhua Ji, Dahui Liu, Wei Liu, Daijie Wang, Ruimin Lv, Xiao Wang. (2015) Surface molecularly imprinted polymers with dummy templates for the separation of dencichine from Panax notoginseng. RSC Advances, 5 (60): (48885-48892). |
| 3. Yang Zhang,Chen Su,Jinxiu Lei,Lu Chen,Haihong Hu,Su Zeng,Lushan Yu. (2019-03-17) Studies on the L-2-hydroxy-acid oxidase 2 catalyzed metabolism of S-mandelic acid and its analogues.. Drug metabolism and pharmacokinetics, 34 ((3)): (187-193). |
| 4. Zheng Li, Xiaohui Lu, Zhiyang Zhang, Shuoyang Yan, Yunli Yang. (2024) Rapid Fingerprinting of Urinary Volatile Metabolites and Point-of-Care Diagnosis of Phenylketonuria on a Patterned Nanorod Sensor Array with Multiplexed Surface-Enhanced Raman Scattering Readouts. ANALYTICAL CHEMISTRY, 96 (36): (14541-14549). |
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