Schizandrin B - 10mM in DMSO , CAS No.61281-37-6

CAS: 61281-37-6 Cat. No.: S425073 Fórmula: C₂₃H₂₈O₆ Peso molecular: 400.4648 PubChem CID: 108130

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

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

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528769790

Sonrisas canónicas

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

Isómeros SMILES

CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3

PubChem CID

108130

Peso molecular

400.4648

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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