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

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

COA

Grade & Purity:

10mM in DMSO

Cas Number: 54522-52-0
Molecular Weight: 1063.23
PubChem CID: 11263254

In stock

Item Number

M424646

Grouped product items
SKU	Size	Availability	Price	Qty
M424646-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90

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Compound libraries (12325)

Basic Description

Synonyms	Methylprotodioscin \| Methyl protodioscin \| 54522-52-0 \| 1VJB6VV6IA \| CHEBI:81110 \| CCRIS 4125 \| NSC-698790 \| UNII-1VJB6VV6IA \| 22-METHOXYLPROTODIOSCIN \| CHEMBL453625 \| 22-O-METHYLPROTODIOSCIN \| DTXSID301031695 \| EX-A3795 \| HY-N0863 \| CCG-270624 \| CS-3910 \| MS-31916 \| S9300 \| C17468 \| Q2715506
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	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
Storage Temp	Protected from light,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	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
Description	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
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)

HL-60 (67320 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	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
InChIKey	HSSJYSJXBOCKQM-GVTGEURHSA-N
Smiles	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
Isomeric 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
Molecular Weight	1063.23
Reaxy-Rn	42293029
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42293029&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
Melt Point(°C)	169-171° C
Molecular Weight	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 Å²
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

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