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Home Other Building Blocks Methyl protodioscin

Methyl protodioscin

CAS No.:
54522-52-0
Catalog Number:
AG00DB8Y
Molecular Formula:
C52H86O22
Molecular Weight:
1063.2260
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$362
- +
10mg
98%
1 week
United States
$612
- +
50mg
98%
1 week
United States
$1723
- +
100mg
98%
1 week
United States
$2904
- +
Product Description
Catalog Number:
AG00DB8Y
Chemical Name:
Methyl protodioscin
CAS Number:
54522-52-0
Molecular Formula:
C52H86O22
Molecular Weight:
1063.2260
MDL Number:
MFCD30478892
IUPAC Name:
2-[4-hydroxy-2-(hydroxymethyl)-6-[[6-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[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-(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
InChI Key:
HSSJYSJXBOCKQM-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(OC)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
1920  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1062.561g/mol
Formal Charge:
0
Heavy Atom Count:
74  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
1063.238g/mol
Monoisotopic Mass:
1062.561g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
335A^2
Undefined Atom Stereocenter Count:
31  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Pharmacokinetics of methyl protodioscin in rats. Die Pharmazie 20100501
[Effect and mechanism of methyl protodioscin in protecting cardiomyocytes against anoxia/reoxygenation injury]. Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine 20100401
[Effects of methyl protodioscin on [Ca2+]i and ATPase activity in cardiomyocytes and analysis of mechanisms]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100101
New thinking in the development of novel derivatization reagents for liquid chromatography-mass spectrometric detection. Biomedical chromatography : BMC 20090101
[Determination of plasma protein binding rate of methyl protodioscin with ultrafiltration]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20080601
Development and validation of a liquid chromatography/tandem mass spectrometry assay for the quantification of methyl protodioscin in rat plasma: application to a pharmacokinetic study. Biomedical chromatography : BMC 20080401
Characterization of steroidal saponins in crude extract from Dioscorea nipponica Makino by liquid chromatography tandem multi-stage mass spectrometry. Analytica chimica acta 20070905
Methyl protodioscin induces G2/M cell cycle arrest and apoptosis in HepG2 liver cancer cells. Cancer letters 20060908
Structural identification of methyl protodioscin metabolites in rats' urine and their antiproliferative activities against human tumor cell lines. Steroids 20060901
Microbial metabolism of methyl protodioscin by Aspergillus niger culture--a new androstenedione producing way from steroid. The Journal of steroid biochemistry and molecular biology 20060701
Facile conversion of spirostan saponin into furostan saponin: synthesis of methyl protodioscin and its 26-thio-analogue. Organic letters 20060622
[Study on chemical constituents in total saponin from Trigonella foenum-graecum]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050901
Methyl protodioscin induces G2/M arrest and apoptosis in K562 cells with the hyperpolarization of mitochondria. Cancer letters 20050628
In vivo antiosteoporotic activity of a fraction of Dioscorea spongiosa and its constituent, 22-O-methylprotodioscin. Planta medica 20040301
The cytotoxicity of methyl protodioscin against human cancer cell lines in vitro. Cancer investigation 20030601
Total synthesis of methyl protodioscin: a potent agent with antitumor activity. The Journal of organic chemistry 20030502
Effects of two saponins extracted from the polygonatum Zanlanscianense pamp on the human leukemia (HL-60) cells. Biological & pharmaceutical bulletin 20010201
Properties