Schizandrin B - analytical standard, ≥98% , CAS No.61281-37-6

CAS: 61281-37-6 Cat. No.: S117968 Molecular Weight: 400.4648 PubChem CID: 108130

GRADE & PURITY Analytical standard, ≥98%

Synonyms

BDBM50341711 | HY-N0089 | SR-05000002175-2 | BCP30085 | InChI=1/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12 | S(-) Schisandrin B | DIACEREIN [MART.] | S(-) Wuweizisu B | Q-100707 | FT-0775855 | SCHEMBL3380716 | (5S,6S,7S,13aS)-5,6,7,8-Tetra

Storage

Room temperature

Shipped In

Normal

Overview

Schisandrin B exhibits antioxidant activity which may be responsible for its hepatic protecting activity. It was shown to increase glutathione level and Dt-diaphorase enzyme activity
A compound shown to up-regulate cellular antioxidant response.

Specifications

Synonyms

BDBM50341711 | HY-N0089 | SR-05000002175-2 | BCP30085 | InChI=1/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H, 1H3, (H, 11, 12 | S(-) Schisandrin B | DIACEREIN [MART.] | S(-) Wuweizisu B | Q-100707 | FT-0775855 | SCHEMBL3380716 | (5S, 6S, 7S, 13aS)-5, 6, 7, 8-Tetra

Specifications & Purity

analytical standard, ≥98%

Biochemical and Physiological Mechanisms

Anti-inflammatory and antioxidant agent. Inhibits ROS production in microglia. Modulates NFκB and Nrf2. Modulates proliferation and phosphorylation of c-Raf, MEK, ERK, JNK, and p38. Shows hepatoprotective and cardioprotective effects in vivo. Orally activ

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3
• IUPAC Name: 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
• InChIKey: RTZKSTLPRTWFEV-UHFFFAOYSA-N
• INCHI: 1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
• Isomeric SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3
• PubChem CID: 108130
• Molecular Weight: 400.4648

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Dibenzocyclooctadiene lignans Benzodioxoles Anisoles Alkyl aryl ethers Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydrolyzable tannin - Dibenzocyclooctane lignan - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• 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

Associated Targets(Human)

PRKDC Tchem DNA-dependent protein kinase (1929 Activities)

Discover Target: PRKDC

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

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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

ATR Tchem Serine-protein kinase ATR (986 Activities)

Discover Target: ATR

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

Associated Targets(non-human)

Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

Discover Target: Abcc1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 400.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 400.189 Da
• Monoisotopic Mass: 400.189 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 543.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Guangxu Cao, Shuang Li, Hezhan Shi, Peidi Yin, Jialing Chen, Huifeng Li, Ying Zhong, Li-Ting Diao, Bin Du.  (2019)  Schisandrin B attenuates renal fibrosis via miR-30e-mediated inhibition of EMT.  TOXICOLOGY AND APPLIED PHARMACOLOGY,      [PMID:31697999] [10.1016/j.taap.2019.114769]

2. Yuan Gao, Shimin Wu, Renhuai Cong, Junyong Xiao, Fangli Ma.  (2019)  Characterization of lignans in Schisandra chinensis oil with a single analysis process by UPLC-Q/TOF-MS.  CHEMISTRY AND PHYSICS OF LIPIDS,      [PMID:30610837] [10.1016/j.chemphyslip.2018.12.012]

3. Zhao Zijia, Gao Yan, Yuan Min, Ye Cai, Guo Yingxue, Zhao Yanli, Li Jinlian, Cui Jiwen, Dong Tianwei, Wu Dongmei.  (2024)  Application Prospects of Schisandra chinensis Fruit Post-Distillation Residues in Anti-Photoaging Products: Enhancing Anti-Photoaging Through Lignans Conversion.  Waste and Biomass Valorization,      [PMID:] [10.1007/s12649-024-02846-0]

4. Zhang Jinpeng, Cui Xinyuan, Zhao Shuo, Chang Zenghui, Zhang Junshuo, Chen Yufeng, Liu Jiale, Sun Guohao, Wang Yiyuan, Liu Yuanyuan.  (2024)  Establishment of a pharmacokinetics and pharmacodynamics model of Schisandra lignans against hippocampal neurotransmitters in AD rats based on microdi-alysis liquid chromatography-mass spectrometry.  Frontiers in Pharmacology,      [PMID:38529184] [10.3389/fphar.2024.1342121]

5. Shuang-Shuang Zhang, Jia-Hui Yu, Si-Si Jiang, Lun Wang, Jiong Chen, Jiao Long, Shuang-Xi Gu, Hui Li.  (2024)  T7 peptide-mediated co-delivery platform overcoming multidrug-resistant breast cancer: In vitro and in vivo evaluation.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:38759900] [10.1016/j.ejpb.2024.114327]

6. Jingwen Xu, Yijie Li, Ning Guo, Guangwen Luo, Le Wang, Jiaqi Wang, Jiayi Gao, Wanyang Qin, Lishan Yao, Guoliang Li.  (2025)  Schisandrin B loaded carrier with synergistic antioxidation alleviates Alzheimer’s disease in Caenorhabditis elegans by prolonging lifespan and inhibiting Aβ aggregation.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2025.06.043]