Methylprotodioscin - 10mM in DMSO , CAS No.54522-52-0

CAS: 54522-52-0 Cat. No.: M424646 Peso molecular: 1063.23

GRADE & PURITY 10mM in DMSO

Synonyms

UNII-1VJB6VV6IA | EX-A3795 | beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))- | CHEBI:81110 | .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,2

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Product Describtion:

Methyl protodioscin, a bioactive natural compound isolated from Dioscorea collettii Makino (Dioscoreaceae), has numerous pharmacological activities, including anti-inflammation, lipid-lowering, and anticancer activities.

Specifications

Sinónimos

UNII-1VJB6VV6IA | EX-A3795 | beta-D-Glucopyranoside, (3beta, 25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))- | CHEBI:81110 | .BETA.-D-GLUCOPYRANOSIDE, (3.BETA., 2

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Methyl protodioscin is a saponin isolated from medical plant Dioscoreaceae that exhibit anticancer properties. It appears that Methyl protodioscin inhibits proliferation and promoted apoptosis of pancreatic cancer through suppression of glycolysis. Methyl

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC
• IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• InChIKey: HSSJYSJXBOCKQM-GVTGEURHSA-N
• INCHI: 1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1
• Isómeros SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC
• Peso molecular: 1063.23
• Reaxy-Rn: 42293029
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42293029&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Steroidal glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroidal saponins
• Alternative Parents: Furostanes and derivatives Diterpene glycosides Oligosaccharides Delta-5-steroids Diterpenoids Alkyl glycosides O-glycosyl compounds Ketals Oxanes Tetrahydrofurans Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroidal saponin - Diterpene glycoside - Furostane-skeleton - Oligosaccharide - Diterpenoid - Delta-5-steroid - Terpene glycoside - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Ketal - Fatty acyl - Oxane - Tetrahydrofuran - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
• External Descriptors: furostan

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)

HL-60 (67320 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: light sensitive
• Punto de fusión (°C): 169-171° C
• Peso molecular: 1063.200 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 15
• Exact Mass: 1062.56 Da
• Monoisotopic Mass: 1062.56 Da
• Topological Polar Surface Area: 335.000 Ų
• Heavy Atom Count: 74
• Formal Charge: 0
• Complexity: 1920.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 31
• 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