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Drug Details

General Information of the Drug (ID: DR2625)
Name
BMS-231974
Synonyms
SCHEMBL6813836; SCHEMBL6813842; BMS-231974; 4-[(E)-2-[8-(3,3-dimethylbut-1-ynyl)-5,5,7-trimethyl-6H-naphthalen-2-yl]ethenyl]benzoic Acid
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Molecular Type
Small molecule
Disease Breast cancer [ICD-11: 2C60] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C28H30O2
PubChem CID
10092292
Canonical SMILES
CC1=C(C2=C(C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C(C1)(C)C)C#CC(C)(C)C
InChI
1S/C28H30O2/c1-19-18-28(5,6)25-14-11-21(17-24(25)23(19)15-16-27(2,3)4)8-7-20-9-12-22(13-10-20)26(29)30/h7-14,17H,18H2,1-6H3,(H,29,30)/b8-7+
InChIKey
DQRQOOAPWNLJRO-BQYQJAHWSA-N
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Paclitaxel      Taxus brevifolia     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [1]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation
Down-regulation Expression BCL-2  Molecule Info 
Pathway MAP
Up-regulation Activity JNK1  Molecule Info 
Pathway MAP
                    In-vitro Model MCF-7 CVCL_0031 Invasive breast carcinoma Homo sapiens
                    Experimental
                    Result(s)
Alpha/beta selective retinoids dramatically lowered the effective dose of Taxol needed to induce cytotoxicity of a wide range of tumor cell lines. Examination of pathways common to Taxol and retinoid signaling revealed that this synergy was related in part to effects on Bcl-2 expression/phosphorylation as well as the activity of the c-Jun NH(2)-terminal kinase and activator protein-1.
Target and Pathway
Target(s) Thymic stromal lymphoprotein receptor (CRLF2)  Molecule Info  [2]
References
Reference 1 Synergistic cytotoxicity exhibited by combination treatment of selective retinoid ligands with taxol (Paclitaxel). Cancer Res. 2001 Dec 15;61(24):8703-11.
Reference 2 Thymic stromal lymphopoietin. Ann N Y Acad Sci. 2010 Jan;1183:13-24.
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Cite NPCDR
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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