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Sodium 3-(3,4-dihydroxyphenyl)-DL-lactate - 10mM in DMSO, high purity , CAS No.67920-52-9
Basic Description
Synonyms
Sodium Danshensu | 67920-52-9 | Danshensu sodium salt | sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate | Danshensu (sodium salt) | sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate | Sodium Danshensu;(+/-)-DanShenSu sodium sal | Sodium-Danshensu | SCHEMBL3331027 | Ben
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Antioxidant agent. Potentiates SOD, catalase, glutathione peroxidase, glutathione reductase and glutathione S-transferase activity. Shows cardioprotective, neuroprotective and anti-inflammatory effects in vivo. Orally active.
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
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
Not available
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.
Names and Identifiers
IUPAC Name
sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
INCHI
InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1
InChIKey
ZMMKVDBZTXUHFO-UHFFFAOYSA-M
Smiles
C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]
Isomeric SMILES
C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]
Alternate CAS
76822-21-4
PubChem CID
23711819
Molecular Weight
220.15
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
220.150 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
220.035 Da
Monoisotopic Mass
220.035 Da
Topological Polar Surface Area
101.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
211.000
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
2
Citations of This Product
1.
Fei Yang, Cuizhen Shen.
(2022)
Sodium Danshensu Cream Promotes the Healing of Pressure Ulcers in Mice through the Nrf2/HO-1 and NF-κB Pathways. Pharmaceuticals,
15
(12):
(1548).
2.
Zhang Yunxia, Wu Xiaoxiao, Li Ruoqi, Sui Mengru, Li Guoyin, Fan Shuhua, Yang Mingsheng, Liu Qiuping, Liu Xiaomeng, Wu Changjing, Li Lili.
(2024)
Sodium danshensu modulates skeletal muscle fiber type formation and metabolism by inhibiting pyruvate kinase M1. Frontiers in Pharmacology,
15
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2 Citations