Drug Details

General Information of the Drug (ID: DR4666)
Name
PD98059
Synonyms
PD98059; PD 98059; 2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one; PD-98059; PD 98,059; 2-(2-amino-3-methoxyphenyl)chromen-4-one; 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one; 2'-AMINO-3'-METHOXYFLAVONE; PD-098059; 4H-1-Benzopyran-4-one, 2-(2-Amino-3-methoxyphenyl)-; UNII-SJE1IO5E3I; SJE1IO5E3I; CHEMBL35482; C16H13NO3; CHEBI:77954; MFCD00671789; 2-(2-Amino-3-methoxy-phenyl)-chromen-4-one; SR-01000076097; PD 098059; 2-(2-Amino-3-methoxyphenyl)-chromen-4-one; Tocris-1213; PD098059; Lopac-P-215; BiomolKI_000001; 2-(2-amino-3-methoxy-phenyl)chromen-4-one; BiomolKI2_000011; PD 98,059, solid; Lopac0_001028; BMK1-B1; BSPBio_000996; KBioGR_000336; KBioSS_000336; 2-(2'-amino-3'-methoxyphenyl)oxanaphthalen-4-one; cc-461; MLS006010134; SCHEMBL157826; 4H-1-Benzopyran-4-one,2-(2-amino-3-methoxyphenyl)-; GTPL5241; QCR-14; 2''-amino-3''-methoxyflavone; BCBcMAP01_000049; KBio2_000336; KBio2_002904; KBio2_005472; KBio3_000671; KBio3_000672; AOB2598; DTXSID40168416; BCPP000123; Bio1_000475; Bio1_000964; Bio1_001453; Bio2_000338; Bio2_000818; HMS1362B17; HMS1792B17; HMS1990B17; HMS3229M08; HMS3263M17; HMS3267D03; HMS3403B17; HMS3412O09; HMS3649N14; HMS3654I16; HMS3676O09; BCP02423; EX-A2127; ZINC1420826; Tox21_501028; ABP000927; BDBM50108771; NSC679828; s1177; AKOS015995212; BCP9001060; CCG-100605; CS-0169; LP01028; NSC 679828; NSC-679828; SB16629; SDCCGSBI-0051000.P003; IDI1_002093; SMP2_000052; NCGC00015790-01; NCGC00015790-02; NCGC00015790-03; NCGC00015790-04; NCGC00015790-05; NCGC00015790-06; NCGC00015790-07; NCGC00015790-08; NCGC00025045-01; NCGC00025045-02; NCGC00025045-03; NCGC00025045-04; NCGC00025045-05; NCGC00179347-01; NCGC00261713-01; AC-28412; AK-60664; AS-19374; HY-12028; NCI60_028554; SMR001456459; AB0033706; EU-0101028; FT-0716482; P-215; PD-98059/PD98059/; SW218254-2; X7398; EC-000.2425; A25454; P-4313; PD 98059 & Z-100; InSolution PD 98059 - CAS 167869-21-8; J-505513; SR-01000076097-1; SR-01000076097-3; SR-01000076097-6; 2-(2-amino-3-methoxyphenyl)-4-oxo-4H-[1]benzopyran; BRD-K62810658-001-05-6; BRD-K62810658-001-06-4; Q27088281; 2-(2-Amino-3-methoxy-phenyl)-chromen-4-one(PD98059); PD 98059 - CAS 167869-21-8; 4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)- & Z-100
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Molecular Type
Small molecule
Disease Gastrointestinal stromal tumor [ICD-11: 2B5B] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C16H13NO3
PubChem CID
4713
Canonical SMILES
COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2
InChI
1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
InChIKey
QFWCYNPOPKQOKV-UHFFFAOYSA-N
CAS Number
CAS 167869-21-8
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		 Up-regulation Expression BAX  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation ERK1  Molecule Info 
Pathway MAP
Up-regulation Cleavage PARP1  Molecule Info 
Pathway MAP
                    Biological
                    Regulation		 Increase Mitochondrial transmembrane potential
Increase Percentage of sub-G1 apoptotic cells
                    In-vitro Model NB4 CVCL_0005 Acute promyelocytic leukemia Homo sapiens
Acute promyelocytic leukemia primary blasts derived from patients Acute promyelocytic leukemia Homo sapiens
                    Experimental
                    Result(s)		 Arsenic trioxide (ATO) and MEK1 inhibition synergize to induce apoptosis in acute promyelocytic leukemia cells.
          Bufalin      Bufo gargarizans     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 [3]
                    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 Expression CASP3  Molecule Info 
Pathway MAP
                    In-vitro Model NB4 CVCL_0005 Acute promyelocytic leukemia Homo sapiens
                    Experimental
                    Result(s)		 Bufalin synergized with PD98059 to inhibit the proliferation and induce the apoptosis of NB4 cells, which was associated with the downregulation of survivin expression and the upregulation of caspase-3 activation.
          Curcumin      Hellenia speciosa     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 [4]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Phosphorylation AKT1  Molecule Info 
Pathway MAP
Up-regulation Expression microRNA 21  Molecule Info 
Pathway MAP
Up-regulation Expression PTEN  Molecule Info 
Pathway MAP
                    In-vitro Model MGC-803 CVCL_5334 Gastric mucinous adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)		 Curcumin regulates the miR-21/PTEN/Akt pathway and acts in synergy with PD98059 to induce apoptosis of human gastric cancer MGC-803 cells.
Target and Pathway
Target(s) Cholinesterase (BCHE)  Molecule Info  [5]
Panther Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway Click to Show/Hide
2 Muscarinic acetylcholine receptor 2 and 4 signaling pathway
3 Nicotinic acetylcholine receptor signaling pathway
WikiPathways Irinotecan Pathway Click to Show/Hide
References
Reference 1 Combination treatment of PD98059 and DAPT in gastric cancer through induction of apoptosis and downregulation of WNT/Beta-catenin. Cancer Biol Ther. 2013 Sep;14(9):833-9.
Reference 2 Arsenic trioxide (ATO) and MEK1 inhibition synergize to induce apoptosis in acute promyelocytic leukemia cells. Leukemia. 2005 Feb;19(2):234-44.
Reference 3 Bufalin induces the apoptosis of acute promyelocytic leukemia cells via the downregulation of survivin expression. Acta Haematol. 2012;128(3):144-50.
Reference 4 Curcumin regulates the miR-21/PTEN/Akt pathway and acts in synergy with PD98059 to induce apoptosis of human gastric cancer MGC-803 cells. J Int Med Res. 2019 Mar;47(3):1288-1297.
Reference 5 Characterization of plasma cholinesterase in rabbit and evaluation of the inhibitory potential of diazinon. Ecotoxicol Environ Saf. 2014 Feb;100:39-43.
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