134308-13-7

• 常用中文名：托卡朋
• 常用英文名：Tolcapone
• CAS号：134308-13-7
• 分子式：C₁₄H₁₁NO₅
• 分子量：273.241
• 相关类别： 生物化工 抑制剂 代谢(Metabolism) Transferase 抑制剂
• 发布时间：2018-08-31 01:22:29
• 更新时间：2024-01-02 17:11:50
• Tolcapone(Ro 40-7592)是口服活性的外周和中枢COMT抑制剂。

名称

• 中文名: 托卡朋
• 英文名: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
• 中文别名: 甲磺酸达氟沙星.甲达沙星.甲磺酸丹诺沙星; (3,4-二羟基-5-硝基苯基)-(4-甲基苯基)甲酮
• 英文别名: UNII-CIF6334OLY; 1-(3,4-dihydroxy-5-nitrophenyl)-1-(4-methylphenyl)methanone; tolcapone; Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-; tolcapone [INN_en]; 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone; 4'-methyl-3,4-dihydroxy-5-nitro-benzophenone; [14C]-Tolcapone; Tasmar (TN); MFCD00866569; Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl); Tasmar; (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone; Ro 40-7592

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 485.6±45.0 °C at 760 mmHg
• 熔点: 126-128ºC
• 分子式: C₁₄H₁₁NO₅
• 分子量: 273.241
• 闪点: 205.7±17.2 °C
• 精确质量: 273.063721
• PSA: 103.35000
• LogP: 4.07
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.661
• 储存条件: -20°C Freezer

生物活性

• 描述: Tolcapone(Ro 40-7592)是口服活性的外周和中枢COMT抑制剂。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> COMT
  信号通路 >> 神经信号通路 >> COMT
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Neil E. Paterson, Jennifer Ricciardi, Caitlin Wetzler, et al. Sub-optimal performance in the 5-choice serial reaction time task in rats was sensitive to methylphenidate, atomoxetine and d-amphetamine, but unaffected by the COMT inhibitor tolcapone. Neuros

  [2]. Saviana Di Giovanni, Simona Eleuteri, Katerina E. Paleologou, et al. Entacapone and Tolcapone, Two Catechol O-Methyltransferase Inhibitors, Block Fibril Formation of α-Synuclein and β-Amyloid and Protect against Amyloid-induced Toxicity. The Journal of Bi

  [3]. Panos Bitsios, Panos Roussos1. Tolcapone, COMT polymorphisms and pharmacogenomic treatment of schizophrenia. Pharmacogenomics. 2001,12 (4): 559-566.

  [4]. M.A. Vieira-Coelho, P. Soares-da-Silva. Ontogenic aspects of liver and kidney catechol-O- methyltransferase sensitivity to tolcapone. British Journal of Pharmacology.1996,117 (3):516-520.

  [5]. J. Dingemanse, K. Jorga, G. Zurcher,et al. Pharmacokinetic-pharmacodynamic interaction between the COMT inhibitor tolcapone and single-dose levodopa. British Journal of Clinical Pharmacology 1995, 40 (3):253-262.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : PC4952500 CHEMICAL NAME : Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)- CAS REGISTRY NUMBER : 134308-13-7 LAST UPDATED : 199709 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C14-H11-N-O5 MOLECULAR WEIGHT : 273.26 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 : >2 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1513,199 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1600 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1513,199 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9300 mg/kg/4W-I TOXIC EFFECTS : Liver - changes in liver weight Related to Chronic Data - death REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1521,199 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 91 gm/kg/26W-C TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1557,199 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 1120 mg/kg/4W-I TOXIC EFFECTS : Gastrointestinal - alteration in gastric secretion Kidney, Ureter, Bladder - other changes REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1537,199 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 25830 mg/kg/26W-I TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1585,199 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 1760 mg/kg/15D-I TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1513,199 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 3 gm/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effects - other effects REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1631,199

安全

• 符号: GHS09
• 信号词: Warning
• 危害声明: H400
• 警示性声明: P273
• 危害码 (欧洲): N
• 风险声明 (欧洲): 50
• 安全声明 (欧洲): 61
• 危险品运输编码: UN 3077 9 / PGIII
• RTECS号: PC4952500

合成路线

134612-80-9 ~92% 134308-13-7

文献：Synthetic Communications, , vol. 38, # 5 p. 810 - 815

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