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Minecoside

CAT: 0804-HY-N3255-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3255-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Minecoside is a CXCR4/STAT3 inhibitor with anticancer and anti-inflammatory activity. Minecoside decreases CXCR4 expression and suppresses STAT3 activation, thus to inhibit CXCL 12-induced invasion. Minecoside potently inhibits cancer metastasis and promotes apoptotic progression[1][2].
CAS Number
51005-44-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CXCR; STAT
Type
Natural Products
Related Pathways
GPCR/G Protein; Immunology/Inflammation; JAK/STAT Signaling; Stem Cell/Wnt
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/minecoside.html
Purity
99.86
Smiles
OC[C@@]1([C@]([C@@H]2O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@H]3O)CO)([H])[C@](C=CO2)([H])[C@@H]4OC(/C=C/C(C=C5)=CC(O)=C5OC)=O)[C@@]4([H])O1
Molecular Formula
C25H30O13
Molecular Weight
538.50
Precautions
H302, H315, H319, H335
References & Citations
[1]Kim B, et al. Minecoside Modulates Cell Invasion via Regulation of CXCR4 Expression in Breast and Colon Cancer Cells. Planta Med. 2020 Mar;86 (5) :331-337.|[2]Kim B, et al. Minecoside promotes apoptotic progression through STAT3 inactivation in breast cancer cells. Oncol Lett. 2022 Mar;23 (3) :94.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Minecoside

Minecoside is a hydroxycinnamic acid. It has a role as a metabolite.

CAS Number51005-44-8
PubChem CID12002015
IUPAC Name[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Molecular FormulaC25H30O13
Molecular Weight538.5
XLogP-0.9
Topological Polar Surface Area197
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity912
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChIKey
LRHHPZILMPIMIY-GGKKSNITSA-N
Chemical Structure
2D Structure
2D structure of Minecoside
CAS: 51005-44-8
CID: 12002015
Formula: C25H30O13
MW: 538.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.5
XLogP3-0.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass538.16864101
Monoisotopic Mass538.16864101
Topological Polar Surface Area197 Ų
Heavy Atom Count38
Formal Charge0
Complexity912
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
380849Minecoside

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