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Drug Details

General Information of the Drug (ID: DR8137)
Name
Cotylenin A
Synonyms
COTYLENIN A; UNII-O6G9S48JRX; O6G9S48JRX; 12708-37-1; NSC319518; NSC 319518; Dicyclopenta(a,d)cyclooctene-1,5-diol, 1,2,3,3a,4,5,6,8,9,9a-decahydro-1-(methoxymethyl)-4-methyl-7-(1-methylethyl)-6-(((2S,3S,4aS,5R,7S,8R,8aR)-tetrahydro-8-hydroxy-5-(methoxymethyl)-3-methyl-3-((2S)-oxiranyl)-7H-2,4a-epoxy-5H-pyrano(3,4-b)-1,4-dioxin-7-yl)oxy)-, (1R,3aS,4R,5R,6R,9aR)-
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Molecular Type
Small molecule
Disease Acute myeloid leukemia [ICD-11: 2A60] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C33H50O11
PubChem CID
5458687
Canonical SMILES
CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)C7CO7)O)C(C)C)C)(COC)O
InChI
1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21?,22?,24-,25?,26-,27?,28-,29?,30-,31+,32+,33+/m1/s1
InChIKey
SMQRKTIIIYTOTN-BQPZYPMMSA-N
CAS Number
CAS 12708-37-1
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Arsenic trioxide      Realgar and orpiment     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 [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation
Down-regulation Expression BIRC5  Molecule Info 
Pathway MAP
Up-regulation Cleavage CASP7  Molecule Info 
Pathway MAP
Up-regulation Expression CDKN1A  Molecule Info 
Pathway MAP
Up-regulation Expression IFI27  Molecule Info 
Pathway MAP
                    In-vitro Model MDA-MB-231 CVCL_0062 Breast adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)
Cotylenin A and arsenic trioxide cooperatively suppress cell proliferation and cell invasion activity in human breast cancer cells.
References
Reference 1 Treatment of human promyelocytic leukemia in the SCID mouse model with cotylenin A, an inducer of myelomonocytic differentiation of leukemia cells. Leuk Res. 2003 Nov;27(11):1019-25.
Reference 2 Cotylenin A and arsenic trioxide cooperatively suppress cell proliferation and cell invasion activity in human breast cancer cells. Int J Oncol. 2015 Feb;46(2):841-8.
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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