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Natural Product (NP) Details

General Information of the NP (ID: NP7978)
Name
Salinomycin
Synonyms
Procoxacin; Coxistac; 53003-10-4; Bio-cox; UNII-62UXS86T64; CHEBI:80025; 62UXS86T64; (R)-2-((2R,5S,6R)-6-((2S,3S,4S,6R)-6-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoic acid; Salinomicina; Salinomycine; Salinomycinum; (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid; Salinomycin [INN:BAN]; Salinomycine [INN-French]; Salinomycinum [INN-Latin]; Salinomycin (Procoxacin); Salinomicina [INN-Spanish]; K 364; HSDB 7032; Procoxacin (TN); AHR 3096; EINECS 258-290-1; Salinomycin (INN); SCHEMBL36890; CHEMBL1208572; DTXSID4048486; GTPL11088; NSC757437; s2352; s8129; ZINC85540254; Salinomycin (from Streptomyces albus); CCG-208535; CS-1299; DB11544; NSC-757437; (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5?.3?]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid; BS-17023; E716; HY-15597; C15690; D08502; W-6068; Q411909; J-524236; SR-05000002207-3; Salinomycin, from Streptomyces albus, >=98% (HPLC); Salinomycin, Ready Made Solution, from Streptomyces albus, >=98% (HPLC)
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Species Origin Streptomyces albus ...     Click to Show/Hide
Streptomyces albus
SuperKingdom: Bacteria
Phylum: Actinobacteria
Class: Actinomycetia
Order: Streptomycetales
Family: Streptomycetaceae
Genus: Streptomyces
Species: Streptomyces albus
Disease Colorectal cancer [ICD-11: 2B91] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C42H70O11
PubChem CID
3085092
Canonical SMILES
CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O
InChI
1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
InChIKey
KQXDHUJYNAXLNZ-XQSDOZFQSA-N
CAS Number
CAS 53003-10-4
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Gemcitabine      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Augmenting Drug Sensitivity     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model SW1990 CVCL_1723 Pancreatic adenocarcinoma Homo sapiens
AsPC-1 CVCL_0152 Pancreatic ductal adenocarcinoma Homo sapiens
                    In-vivo Model SW1990 cells were injected subcutaneously into the right flank of nude mice using a 23-gauge needle at a 2*106 cells per mouse.
                    Experimental
                    Result(s)
Salinomycin combined with gemcitabine could eliminate the engraftment of human pancreatic cancer more effectively than the individual agents.
References
Reference 1 Salinomycin exerts anti-colorectal cancer activity by targeting the Beta-catenin/T-cell factor complex. Br J Pharmacol. 2019 Sep;176(17):3390-3406.
Reference 2 Combination of salinomycin and gemcitabine eliminates pancreatic cancer cells. Cancer Lett. 2011 Dec 27;313(2):137-44.
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China