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尼鲁米特

尼鲁米特用途

Nilutamide (Nilandron) 是一种用于治疗转移性前列腺癌的非甾体抗雄激素药物。

尼鲁米特名称

[ CAS 号 ]:
63612-50-0

[ 中文名 ]:
里奴内酰胺

[ 英文名 ]:
Nilutamide

[中文别名 ]:

[英文别名 ]:

MFCD00864670
Nilandron
Nilandrone
Nilutamide
Anandron
Nilutamida
Nilutamidum

尼鲁米特生物活性

[ 描述 ]:

Nilutamide (Nilandron) 是一种用于治疗转移性前列腺癌的非甾体抗雄激素药物。

[ 相关类别 ]:

研究领域 >> 癌症

信号通路 >> 其他 >> 雄激素受体

[参考文献]

[1]. Harris MG, et al. Nilutamide. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic efficacy in prostate cancer. Drugs Aging. 1993 Jan-Feb;3(1):9-25.

[2]. Ask K, et al. Metabolism of nilutamide in rat lung. Biochem Pharmacol. 2006 Jan 12;71(3):377-85.

尼鲁米特物理化学性质

[ 密度 ]:
1.5±0.1 g/cm3

[ 熔点 ]:
1490C

[ 分子式 ]:
C₁₂H₁₀F₃N₃O₄

[ 分子量 ]:
317.221

[ 精确质量 ]:
317.062347

[ PSA ]:
95.23000

[ LogP ]:
2.23

[ 外观性状 ]:
结晶固体

[ 折射率 ]:
1.524

[ 储存条件 ]:
Store at RT

尼鲁米特MSDS

尼鲁米特毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NI9453300

CHEMICAL NAME :: 2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-

CAS REGISTRY NUMBER :: 63612-50-0

BEILSTEIN REFERENCE NO. :: 0841906

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C12-H10-F3-N3-O4

MOLECULAR WEIGHT :: 317.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 195 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 12,763,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 12,763,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 12,763,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 12,763,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 375 mg/kg

SEX/DURATION :: male 15 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - other effects on male Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :: CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 42,121,1990

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1500 mg/kg

SEX/DURATION :: male 30 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

REFERENCE :: CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 42,121,1990

尼鲁米特安全信息

[ 符号 ]:

GHS06, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301-H360

[ 警示性声明 ]:
P201-P301 + P310-P308 + P313

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
T:Toxic;

[ 风险声明 (欧洲) ]:
R60;R25

[ 安全声明 (欧洲) ]:
53-36/37/39-45

[ 危险品运输编码 ]:
UN 2811 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
NI9453300

[ 海关编码 ]:
2933990090

尼鲁米特合成路线

尼鲁米特上下游产品

尼鲁米特上游产品

尼鲁米特下游产品

尼鲁米特制备

1. 49.6g 3-三氟甲基-4-硝基苯基异氰酸酯和18gα-氰基异丙胺反应，得到27g化合物(Ⅰ)。接着酸性水解，得到尼鲁米特。

2. 4-硝基-3-三氟甲基碘苯的制备
在反应瓶中加入4-硝基-3-(三氟甲基)苯胺10g(47mmol)和6mol/LH2SO4300ml.搅拌下于0ºC缓慢滴加亚硝酸钠4.2g(61mmol)的水溶液20ml,滴加完毕,同温下搅拌反应1h.加入尿素破坏过量的亚硝酸.过滤,滤液缓慢滴至18.7%的碘化钠水溶液150ml(0.17mol)中,有固体生成,加入二氯甲烷100ml,搅拌15min.有机层依次用饱和硫代硫酸钠溶液和水洗涤,用无水MgSO4干燥,过滤,滤液蒸除溶剂,得黄色固体4-硝基-3-三氟甲基碘苯12.7,收率85%.

3. 5,5-二甲基乙内酰脲的制备
在反应瓶中加入0/甲基羟丙腈85g(1mol)和新粉碎的碳酸铵150g(1.31mol),缓慢升温(搅拌下)至50ºC,在此温度反应一段时间后,在68~80ºC继续搅拌反应3h.为了使反应完全并使过量的碳酸铵分解,最后将温度升到90ºC,并维持在此温度直至液体混合物平静(30min).反应液是无色或淡黄色,冷却时固化.将其溶解在100ml热水中,并用活性炭脱色,用预热过的漏斗趁热迅速过滤,滤液减压浓缩至瓶壁出现晶体,浓缩液置于冰浴(或冰箱中)冷冻析晶.过滤,抽干,用少量乙醚(7ml×2)洗涤滤饼,每次洗涤时一定要使乙醚和晶体混匀后再抽滤.母液浓缩至25ml或以下,重复上述操作,可再得到一些晶体.得5,5-二甲基乙内酰脲65~72g,收率51%~56%.第一批产品5,5-二甲基乙内酰脲为纯品mp173ºC,第二批5,5-二甲基乙内酰脲mp164ºC应重结晶处理,重结晶用沸水,重结晶收率为80%~85%,mp174~175ºC.

4. 5,5-二甲基-3-[4-硝基-3-(三氟甲基)苯基]-2,4-咪唑烷二酮(尼鲁米特)的合成
在反应瓶中加入上第一步制备的4-硝基-3-三氟甲基碘苯2.0g(6.3mmol)和第二步制备的5,5-二甲基乙内酰脲1.1g(8.3mmol),再加入DMF20ml搅拌溶解,加入Cu2O 0.6g(3.2mol),搅拌加热至回流,搅拌回流反应10h.稍冷却,过滤,滤液转至浓氨水20ml和水20ml混合液中,有固体析出,冰浴冷却下搅拌1h.过滤,滤饼用乙酸乙酯溶解,依次用10%的氨水和饱和食盐水洗涤,用无水MgSO4干燥,过滤,滤液浓缩至固体析出,冷却,过滤,得黄色固体5,5-二甲基-3-[4-硝基-3-(三氟甲基)苯基]-2,4-咪唑烷二酮(尼鲁米特)1.6g,收率81%,mp147~148ºC.

尼鲁米特海关

[ 海关编码 ]: 2933990090

[ 中文概述 ]:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

尼鲁米特文献

Phase I and phase II reductive metabolism simulation of nitro aromatic xenobiotics with electrochemistry coupled with high resolution mass spectrometry.

Anal. Bioanal. Chem 406(28) , 7253-60, (2014)

Electrochemistry combined with (liquid chromatography) high resolution mass spectrometry was used to simulate the general reductive metabolism of three biologically important nitro aromatic molecules:...

Factors influencing crystal growth rates from undercooled liquids of pharmaceutical compounds.

J. Phys. Chem. B 118(33) , 9974-82, (2014)

Amorphous forms of drugs are increasingly being used to deliver poorly water-soluble compounds. Therefore, understanding the magnitude and origin of differences in crystallization kinetics is highly i...

High-content positional biosensor screening assay for compounds to prevent or disrupt androgen receptor and transcriptional intermediary factor 2 protein-protein interactions.

Assay Drug Dev. Technol. 12(7) , 395-418, (2014)

The androgen receptor-transcriptional intermediary factor 2 (AR-TIF2) positional protein-protein interaction (PPI) biosensor assay described herein combines physiologically relevant cell-based assays ...

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