Drug Details

General Information of the Drug (ID: DR1338)
Name
Dibenzoylmethane
Synonyms
Dibenzoylmethane; 120-46-7; 1,3-Diphenylpropane-1,3-dione; 1,3-DIPHENYL-1,3-PROPANEDIONE; 1,3-Propanedione, 1,3-diphenyl-; 2-Benzoylacetophenone; Phenyl phenacyl ketone; Rhodiastab 83; omega-Benzoylacetophenone; Dibenzoyl-methane; MFCD00003085; UNII-ANS7ME8OKC; 1,3-Diphenyl-propane-1,3-dione; NSC 6266; ANS7ME8OKC; .omega.-Benzoylacetophenone; CHEBI:75417; NSC-6266; Dibenzoylmethane, 98%; Karenzu DK2; dibenzoyl methane; EINECS 204-398-9; BRN 0514910; AI3-19022; CCRIS 8445; Karenzu DK 2; Dibenzoylmethane?DBM); 1, 1,3-diphenyl-; Spectrum2_000038; Spectrum3_001950; ACMC-209a7j; EC 204-398-9; DSSTox_CID_21247; DSSTox_RID_79661; DSSTox_GSID_41247; SCHEMBL39582; BSPBio_003550; MLS002695996; SPECTRUM1505311; SPBio_000135; CHEMBL371523; 1,3-diphenyl-1,3-propandione; 1,3-diphenyl-1,3-propanedion; DTXSID3041247; BDBM22727; KBio3_002841; NSC6266; 1,3-Diphenyl-Propan-1,3-Dion; HMS3091A20; STR01439; ZINC4530702; 1,3-Diphenylpropanedione (Related); Tox21_300686; ANW-17501; CCG-40047; STK372683; AKOS000119639; CS-W010447; MCULE-6320643310; NE10265; 1,3-Diphenyl-1,3-propanedione, 98%; UPCMLD0ENAT5883819:001; NCGC00095298-01; NCGC00095298-02; NCGC00095298-03; NCGC00095298-04; NCGC00254594-01; AC-11379; AK-94186; CAS-120-46-7; M261; SMR001253722; SY014045; DB-041558; AM20020283; D0910; FT-0624640; ST50319429; Dibenzoylmethane 1,3-Diphenyl-1,3-propanedione; Q5272260; W-108476; BRD-K01555864-001-02-8; F0001-0329; Z256709078
    Click to Show/Hide
Molecular Type
Small molecule
Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z] Investigative [1]
Structure
Click to Download Mol
2D MOL

3D MOL

    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C15H12O2
PubChem CID
8433
Canonical SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
InChI
1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
NZZIMKJIVMHWJC-UHFFFAOYSA-N
CAS Number
CAS 120-46-7
ChEBI ID
CHEBI:75417
TTD Drug ID
D02BDL
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Phenethyl isothiocyanate      Nasturtium officinale     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 Phosphorylation AKT1  Molecule Info 
Pathway MAP
Down-regulation Expression BIRC5  Molecule Info 
Pathway MAP
Down-regulation Activity p105  Molecule Info 
Pathway MAP
                    In-vitro Model DU145 CVCL_0105 Prostate carcinoma Homo sapiens
PC-3 CVCL_0035 Prostate carcinoma Homo sapiens
VCaP CVCL_2235 Prostate carcinoma Homo sapiens
                    In-vivo Model For a xenograft model, 2 * 106 VCaP cells per 0.1 ml suspended in a mixture of Matrigel and RPMI 1640 medium (1 : 1) were injected subcutaneously into the back of the mice.
                    Experimental
                    Result(s)		 Phenethyl isothiocyanate in combination with dibenzoylmethane inhibits the androgenindependent growth of prostate cancer cells.
References
Reference 1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
Reference 2 Phenethyl isothiocyanate in combination with dibenzoylmethane inhibits the androgen-independent growth of prostate cancer cells. Food Funct. 2018 Apr 25;9(4):2398-2408.
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link