Salvianolic acid B - ≥98% , CAS No.121521-90-2

CAS: 121521-90-2 Cat. No.: S579891 Peso molecular: 718.61 PubChem CID: 6451084

GRADE & PURITY ≥98%

Synonyms

Lithospermic acid B | Danfensuan B | Lithospermate B | (R)-2-[[(2S,3S)-4-[(E)-3-[(R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl]oxy]-3-(3,4-dihydroxyphenyl)propanoic Aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Lithospermic acid B | Danfensuan B | Lithospermate B | (R)-2-[[(2S, 3S)-4-[(E)-3-[(R)-1-Carboxy-2-(3, 4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-(3, 4-dihydroxyphenyl)-7-hydroxy-2, 3-dihydrobenzofuran-3-carbonyl]oxy]-3-(3, 4-dihydroxyphenyl)propanoic Aci

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764209
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764209
• Sonrisas canónicas: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
• IUPAC Name: (2R)-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
• InChIKey: SNKFFCBZYFGCQN-VWUOOIFGSA-N
• INCHI: 1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1
• Isómeros SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
• WGK Alemania: 3
• PubChem CID: 6451084
• Peso molecular: 718.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: Tetracarboxylic acids and derivatives Coumaric acids and derivatives Cinnamic acid esters Phenylpropanoic acids Coumarans Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Enoate esters Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - 3-phenylpropanoic-acid - Coumaran - Catechol - Styrene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ether - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

Discover Target: P2RY12

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

MDA-MB-231 (73002 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic；heat sensitive
• Rotación específica [α]: 108° (C=1,MeOH)
• Punto de ebullición (°C): 1020.3°C/760mmHg
• Punto de fusión (°C): 169 °C
• Peso molecular: 718.600 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 14
• Exact Mass: 718.153 Da
• Monoisotopic Mass: 718.153 Da
• Topological Polar Surface Area: 278.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1290.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Jingtong Xia, Minhua Qian, Jiahao Zhou, Zhaoyan Wang, Hongli Li, Lei Zhou, Qiaosheng Pu.  (2022)  Integrated strategy of derivatization and separation for sensitive analysis of salvianolic acids using capillary electrophoresis with laser-induced fluorescence detection.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36334567] [10.1016/j.chroma.2022.463607]

2. Min Shi, Ruiyan Zhu, Yi Zhang, Siwei Zhang, Tingyao Liu, Kunlun Li, Shucan Liu, Leran Wang, Yao Wang, Wei Zhou, Qiang Hua, Guoyin Kai.  (2022)  A novel WRKY34-bZIP3 module regulates phenolic acid and tanshinone biosynthesis in Salvia miltiorrhiza.  METABOLIC ENGINEERING,      [PMID:35934177] [10.1016/j.ymben.2022.08.002]

3. Shuxia Tian, Min Chen, Bing Wang, Yonglong Han, Haonan Shang, Junming Chen.  (2020)  Salvianolic acid B blocks hepatic stellate cell activation via FGF19/FGFR4 signaling.  Annals of Hepatology,      [PMID:32980439] [10.1016/j.aohep.2020.07.013]

4. Feng-Qin Wang, Qian Zhang, Chun-Hong Li, Yin-Zhen Wang, Yuan-Jia Hu, Qi-Hui Zhang, Zhi-Ning Xia, Feng-Qing Yang.  (2015)  Evaluation of affinity interaction between small molecules and platelets by open tubular affinity capillary electrochromatography.  ELECTROPHORESIS,      [PMID:26541914] [10.1002/elps.201500414]

5. Xin Peng, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He.  (2015)  Elucidating the Influence of Gold Nanoparticles on the Binding of Salvianolic Acid B and Rosmarinic Acid to Bovine Serum Albumin.  PLoS One,  10  (4): (e0118274).  [PMID:25861047] [10.1371/journal.pone.0118274]

6. Yong Jiang, Wenjun Ji, Ying Lu, Qin Wang, Linwei Chen.  (2025)  Integrating Plasma Metabolomics, Network Pharmacology, and Experimental Validation to Investigate the Action Mechanism of Qiangxin Lishui Prescription in Chronic Heart Failure.  BIOMEDICAL CHROMATOGRAPHY,  39  (2): (e6065).  [PMID:39748248] [10.1002/bmc.6065]

7. Jing Wen, Shue Jin, Xue Luo, Chunhong Chen, Huan Liu, Yubao Li, Jidong Li.  (2025)  Functionalized gelatin/poly(l-lactide-co-ε-caprolactone) fibrous membrane promotes scarless wound healing by modulating inflammation and reducing fibrosis.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40054818] [10.1016/j.ijbiomac.2025.141785]

8. Huang Yuebo, Sun Yuxiang, Guo Dandan, Lin Hongchun, Wu Lingzhi, Zhou Pan, Wu Dongxuan, Sun Juan, Zhou Hu, Hu Zhaoyong, Peng Hui.  (2025)  CXCL6 Orchestrates Macrophage-Driven Inflammation in Diabetic Kidney Disease and Represents a Druggable Target.  Kidney Diseases,  11  (1): (812-834).  [PMID:41321788] [10.1159/000548806]