Soyasaponin II - ≥99% , CAS No.55319-36-3

CAS: 55319-36-3 Cat. No.: S649450 Molecular Weight: 913.10 PubChem CID: 443614

GRADE & PURITY ≥99%

Synonyms

HY-122920 | Q27110224 | AKOS040760720 | DTXSID801317250 | C12081 | SCHEMBL14693925 | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aR,14aS,14bR)-9-hydro xy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8 ,9,10,12,12a,14,14a-tetradec

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Soyasaponin II is a saponin with antiviral activity. Soyasaponin II inhibits the replication of HSV-1 , HCMV, influenza virus , and HIV-1 . Soyasaponin II shows potent inhibition on HSV-1 replication. Soyasaponin II serves as a inhibitor for YB-1 phosphorylation and NLRP3 inflammasome priming and could protect mice against LPS/GalN induced acute liver failure

In Vitro

Soyasaponin II inhibits the replication of HSV-1 (IC 50 =54μM), HCMV (104μM), influenza virus (88μM), and HIV-1 (112 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Soyasaponin II (5 mg/kg; p.o.; once a day for three consecutive days) ameliorates canonical NLRP3 inflammasome-associated innate immune response. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:HSV-1|54 μM (IC|50|)|HIV-1|112 μM (IC|50|)|influenza virus|88 μM (IC|50|)|HCMV|104 μM (IC|50|)|NLRP3 inflammasome

Specifications

Synonyms

HY-122920 | Q27110224 | AKOS040760720 | DTXSID801317250 | C12081 | SCHEMBL14693925 | (2S, 3S, 4S, 5R, 6R)-6-[[(3S, 4S, 4aR, 6aR, 6bS, 8aR, 9S, 12aR, 14aS, 14bR)-9-hydro xy-4-(hydroxymethyl)-4, 6a, 6b, 8a, 11, 11, 14b-heptamethyl-1, 2, 3, 4a, 5, 6, 7, 8 , 9, 10, 12, 12a, 14, 14a-tetradec

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Soyasaponin II is a saponin with antiviral activity. Soyasaponin II inhibits the replication of HSV-1 , HCMV, influenza virus , and HIV-1 . Soyasaponin II shows potent inhibition on HSV-1 replication. Soyasaponin II serves as a inhibitor for YB-1 phosphor

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
• InChIKey: IBZLICPLPYSFNZ-IVWMTKFPSA-N
• INCHI: 1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
• Alternate CAS: 55319-36-3
• PubChem CID: 443614
• MeSH Entry Terms: soyasaponin II
• Molecular Weight: 913.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Oligosaccharides Steroids and steroid derivatives O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Pyrans Oxanes Secondary alcohols Cyclic alcohols and derivatives Polyols Monocarboxylic acids and derivatives Acetals Carboxylic acids Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Oligosaccharide - Steroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Pyran - Hydroxy acid - Oxane - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary alcohol - Alcohol - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• External Descriptors: Dammarenes

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

Chemical and Physical Properties

• Molecular Weight: 913.100 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 912.508 Da
• Monoisotopic Mass: 912.508 Da
• Topological Polar Surface Area: 275.000 Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 1760.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 24
• 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