CAS 143782-20-1 4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile (HCID 11162285)

基本情報

CAS: 143782-20-1
標準SMILES: CC1(C)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O
InChIKey: CYCKLVAQENOQPG-UHFFFAOYSA-N
分子式: C13H10F3N3O2
平均分子量: 297.23 g/mol
単同位体質量: 297.07251122

名称と識別子

優先名称: 4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile
IUPAC: 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
英語名: 4-(4,4-DiMethyl-2,5-dioxoiMidazolidin-1-yl)-2-trifluoroMethylbenzonitrile
分子式: C13H10F3N3O2
分子量: 297.23

名称と別名

143782-20-14-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrileCyanonilutamide4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrileRU-56279Benzonitrile, 4-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-6PAG4TC385CHEMBL146858cyano-nilutamide4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile; RU 56279MFCD19689673

名称をさらに表示

185807RU 562794-(4,4-dimethyl-2,5-dioxyimidazolealkane-1-yl)-2-trifluoromethylbenzenemethylnitrile

UNII-6PAG4TC385SCHEMBL629858orb3174685DTXSID901143349GLXC-04032BDBM501359082-(trifluoromethyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile4-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

物性

構造計算による物性

XLogP: 1.9
極性表面積: 73.2 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 21
形式電荷: 0
複雑度: 520

物理化学的性質

比重(密度): 1.46 · 1.46±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 7.69 · 7.69±0.70(Predicted)

安全と法規制

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile is an intermediate in the synthesis of Oxo-MDV 3100 (Oxo-enzalutamide) (O857800), which is an impurity of Enzalutamide (M199800), which is an androgen-receptor antagonist that blocks androgens from binding to the androgen receptor and prevents nuclear translocation and co-activator recruitment of the ligand-receptor complex. Enzalutamide has been shown to induce tumor cell apoptosis, and is used for the treatment of castration-resistant prostate cancer.