134612-80-9

• 常用中文名：(4-羟基-3-甲氧基-5-硝基苯基)(对甲苯)甲酮
• 常用英文名：3-O-Methyl Tolcapone
• CAS号：134612-80-9
• 分子式：C₁₅H₁₃NO₅
• 分子量：315.32100
• 相关类别： 信号通路 代谢酶/蛋白酶 COMT
• 发布时间：2018-12-28 18:09:46
• 更新时间：2026-07-16 21:36:08
• 3-O-Methyltolcapone (Ro 40-7591) 是 Tolcapone 的代谢产物。Tolcapone 是一种口服活性,可逆,选择性和有效的 COMT 抑制剂。Tolcapone 可穿过血脑屏障,可用于治疗帕金森氏病。

名称

• 中文名: 1-(4-羟基-3-甲氧基-5-硝基苯基)-3-(4-甲基苯基)丙-2-酮
• 英文名: 3-O-Methyl Tolcapone
• 中文别名: 氘4-3-O-甲基托卡普酮; 托卡朋杂质 标准品; 托卡朋杂质1; 3-O-甲基托勒卡朋; 托卡朋相关化合物B; 氘7-3-O-甲基托卡普酮; 3-O-甲基托卡朋
• 英文别名: 3-O-Methyl Tolcapone D4Q: What is 3-O-Methyl Tolcapone D4 Q: What is the CAS Number of 3-O-Methyl Tolcapone D4 Q: What is the storage condition of 3-O-Methyl Tolcapone D4 Q: What e the applications of 3-O-Methyl Tolcapone D4; 1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)propan-2-one; 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-p-tolylpropan-2-one; (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone; 4-Hydroxy-3-Methoxy-4-Methyl-5-nitrobenzophenone; 1-(4-hydroxy-3-Methoxy-5-nitrophenyl)-1-(4-Methylphenyl)Methanone; Ro 1; (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone; Tolcapone Related Compound B(Secondy Standds traceble to; 1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(p-tolyl)propan-2-one; 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone; D7-3-O-Methyl Tolcapone; D4-3-O-Methyl Tolcapone; 4-Hydroxy-3-methoxy-4'-methyl-5-nit; Methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl); 3-O-Methyl TolcaponeQ: What is 3-O-Methyl Tolcapone Q: What is the CAS Number of 3-O-Methyl Tolcapone Q: What is the storage condition of 3-O-Methyl Tolcapone Q: What e the applications of 3-O-Methyl Tolcapone; 3-METHOXY-4-HYDROXY-5-NITROBENZYL,4'-METHYLBENZYL KETONE; Tolcapone Related Compound B; (4-Hydroxy-3-Methoxy-5-nitrophenyl)(4-Methylphenyl)Methanone; 3-O-methyltolcapone

物化性质

• 密度: 1.317g/cm3
• 沸点: 474.8ºC at 760mmHg
• 分子式: C₁₅H₁₃NO₅
• 分子量: 315.32100
• 闪点: 240.9ºC
• 精确质量: 315.11100
• PSA: 92.35000
• LogP: 3.49490
• 蒸汽压: 1.23E-09mmHg at 25°C
• 折射率: 1.613
• 储存条件: 2-8°C

生物活性

• 描述: 3-O-Methyltolcapone (Ro 40-7591) 是 Tolcapone 的代谢产物。Tolcapone 是一种口服活性,可逆,选择性和有效的 COMT 抑制剂。Tolcapone 可穿过血脑屏障,可用于治疗帕金森氏病。
• 相关类别:
  信号通路 >> 神经信号通路 >> COMT
  研究领域 >> 神经疾病
  信号通路 >> 代谢酶/蛋白酶 >> COMT
• 靶点:

  COMT[1][2]

• 参考文献:

  [1]. Jorga K, et al. Metabolism and excretion of tolcapone, a novel inhibitor of catechol-O-methyltransferase. Br J Clin Pharmacol. 1999 Oct;48(4):513-20.

  [2]. Ceravolo R, et al. 18F-dopa PET evidence that tolcapone acts as a central COMT inhibitor in Parkinson's disease. Synapse. 2002 Mar 1;43(3):201-7.

安全

• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2914700090

合成路线

93899-23-1 ~% 134612-80-9

文献：US5236952 A1, ;

海关

海关编码	2914700090
中文概述	2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%