Drug Details

General Information of the Drug (ID: DR9249)
Name
1,3-bis(2-chloroethyl)-1-nitrosourea
Synonyms
Carmustine; carmustine; 154-93-8; 1,3-Bis(2-chloroethyl)-1-nitrosourea; BCNU; Carmustin; Nitrumon; Carmubris; Gliadel; BiCNU; Bi CNU; Carmustinum; Bischlorethylnitrosurea; Bischlorethylnitrosourea; Carmustina; Becenun; Becenum; Bischloroethyl nitrosourea; N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA; Bis(2-chloroethyl)nitrosourea; Urea, N,N'-bis(2-chloroethyl)-N-nitroso-; Gliadel Wafer; FDA 0345; Bischloroethylnitrosourea; SRI 1720; 1,3-Bis(2-chloroethyl)nitrosourea; BiCNU (TN); Carmustinum [INN-Latin]; Carmustina [INN-Spanish]; DTI 015; NCI-C04773; SK; BCNU; Injectable carmustine, Direct Therapeutics
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Molecular Type
Small molecule
Disease Hepatocellular carcinoma [ICD-11: 2C12] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C5H9Cl2N3O2
PubChem CID
2578
Canonical SMILES
C(CCl)NC(=O)N(CCCl)N=O
InChI
1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChIKey
DLGOEMSEDOSKAD-UHFFFAOYSA-N
CAS Number
CAS 154-93-8
TTD Drug ID
D01OXI
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 MAP1LC3A  Molecule Info 
Pathway MAP
Up-regulation Cleavage PARP1  Molecule Info 
Pathway MAP
                    In-vitro Model HONE-1 CVCL_8706 Nasopharyngeal carcinoma Homo sapiens
DBTRG-05MG CVCL_1169 Anaplastic astrocytoma Homo sapiens
HT-29 CVCL_0320 Colon adenocarcinoma Homo sapiens
NCI-H460 CVCL_0459 Lung large cell carcinoma Homo sapiens
A2058 CVCL_1059 Amelanotic melanoma Homo sapiens
MCF-7 CVCL_0031 Invasive breast carcinoma Homo sapiens
TSGH Gastric carcinoma Homo sapiens
                    Experimental
                    Result(s)		 Combination of arsenic trioxide and BCNU synergistically triggers redox-mediated autophagic cell death in human solid tumors.
          Genistein      Glycine max     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
                    In-vitro Model U-87MG ATCC CVCL_0022 Glioblastoma Homo sapiens
                    Experimental
                    Result(s)		 Genistein at typical adult dietary plasma levels can significantly enhance the antiproliferative and cytotoxic action of BCNU.
Target and Pathway
Target(s) Human Deoxyribonucleic acid (hDNA)  Molecule Info  [1]
References
Reference 1 Carmustine-induced toxicity, DNA crosslinking and O6-methylguanine-DNA methyltransferase activity in two human lung cancer cell lines. Eur J Cancer. 1991;27(12):1658-62.
Reference 2 Combination of arsenic trioxide and BCNU synergistically triggers redox-mediated autophagic cell death in human solid tumors. Free Radic Biol Med. 2011 Dec 15;51(12):2195-209.
Reference 3 Synergistic effect of genistein and BCNU on growth inhibition and cytotoxicity of glioblastoma cells. J Neurooncol. 2002 May;57(3):193-200.
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