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Minecoside structure, CAS 51005-44-8

Minecoside

CAS Number51005-44-8

SynonymsTarget; CXCR4; STAT3; References

Molecular FormulaC25H30O13

Molecular Weight538.50

Purity≥85 (LC/MS-ELSD)%

Density1.6±0.1 g/cm3

Boiling Point815.9±65.0 °C at 760 mmHg

Melting Point142℃

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

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Cat. No.: 2A-9069031 Purity: ≥85 (LC/MS-ELSD)%
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Quality Control of [ 51005-44-8 ] Purity: ≥85 (LC/MS-ELSD)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number51005-44-8
Catalog No.2A-9069031
Chinese Name米内苷
SynonymsTarget; CXCR4; STAT3; References
Molecular FormulaC25H30O13
Molecular Weight538.50
Purity≥85 (LC/MS-ELSD)
Density1.6±0.1 g/cm3
Boiling Point815.9±65.0 °C at 760 mmHg
Melting Point142℃
Appearancesolid
Storage Condition?20°C
ApplicationMinecoside is a CXCR4/STAT3 inhibitor with anti-cancer and anti-inflammatory activities. Minecoside reduces the expression of CXCR4 and inhibits the activation of STAT3, thereby inhibiting CXCL12-indu
PubChem ID329824877
MDL NumberMFCD20274711
SMILESCOc1ccc(\C=C\C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)cc1O
InChI1S/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
InChI KeyLRHHPZILMPIMIY-GGKKSNITSA-N
NACRES CodeNA.25
UNSPSC12352205
Hazard Symbolstransportation
MSDSmsds/69031_1_51005_44_8.pdf
BioactivityMinecoside 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]. Related Catalog Signaling Pathways >> Stem Cell/Wnt >> STAT Research Areas >> Cancer Signaling Pathways >> JAK/STAT Signaling >> STAT Signaling Pathways >> GPCR/G Protein >> CXCR Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> CXCR Target CXCR4; STAT3 References [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. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 815.9±65.0 °C at 760 mmHg Melting Point 142℃ Molecular Formula C25H30O13 Molecular Weight 538.50 Flash Point 275.7±27.8 °C Exact Mass 538.168640 PSA 197.13000 LogP -2.66 Vapour Pressure 0.0±3.1 mmHg at 25°C Index of Refraction 1.678 InChIKey LRHHPZILMPIMIY-VOACHAMZSA-N SMILES COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O Storage condition ?20°C
Use ofProperties Name (1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-1a-(hydroxymeth yl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6 -yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate Synonym More Synonyms Minecoside Biological Activity Related Catalog Signaling Pathways >> Stem Cell/Wnt >> STAT Research Areas >> Cancer Signaling Pathways >> JAK/STAT Signaling >> STAT Signaling Pathways >> GPCR/G Protein >> CXCR Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> CXCR CXCR4; STAT3 References [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. Chemical & Physical Properties Molecular Formula C25H30O13 Exact Mass 538.168640 PSA 197.13000 LogP -2.66 Index of Refraction 1.678 InChIKey LRHHPZILMPIMIY-VOACHAMZSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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