59-63-2

• 常用中文名：异卡波肼
• 常用英文名：Isocarboxazid
• CAS号：59-63-2
• 分子式：C₁₂H₁₃N₃O₂
• 分子量：231.251
• 相关类别： 医药中间体 OLED材料中间体
• 发布时间：2018-05-22 08:00:00
• 更新时间：2024-01-08 18:38:29
• Isocarboxazid 是一种非选择性的、不可逆的单胺氧化酶 monoamine oxidase 抑制剂,其在大鼠大脑中测得的 IC50 值为4.8 μM。

名称

• 中文名: 异卡波肼
• 英文名: N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
• 中文别名: 异恶唑酰肼
• 英文别名: isocarboxazide; Benazide; 5-Methyl-isoxazol-3-carbonsaeure-(N'-benzyl-hydrazid); Marplan; Isocarboxazidum; N'-Benzyl-5-methylisoxazol-3-carbohydrazid; Isocarboxazida; 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide; N'-benzyl-5-méthylisoxazole-3-carbohydrazide; Isocarbonazid; Isocarboxazid; N'-benzyl-5-methylisoxazole-3-carbohydrazide; N-Benzyl-N'-<5-methyl-isoxazol-3-yl>-carbonyl-hydrazin; Isocarbossazide; N'-Benzyl-5-methyl-1,2-oxazole-3-carbohydrazide; Isocarboxyzid; Enerzer; 5-methyl-isoxazole-3-carboxylic acid-(N'-benzyl-hydrazide); isocarboxacid; 5-methyl-N'-(phenylmethyl)isoxazole-3-carbohydrazide

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 394.5±42.0 °C at 760 mmHg
• 熔点: 98-100ºC
• 分子式: C₁₂H₁₃N₃O₂
• 分子量: 231.251
• 闪点: 192.4±27.9 °C
• 精确质量: 231.100784
• PSA: 67.16000
• LogP: 1.03
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.573
• 储存条件: -20°C Freezer

生物活性

• 描述: Isocarboxazid 是一种非选择性的、不可逆的单胺氧化酶 monoamine oxidase 抑制剂,其在大鼠大脑中测得的 IC50 值为4.8 μM。
• 相关类别:
  信号通路 >> 神经信号通路 >> 单胺氧化酶
  研究领域 >> 神经疾病
• 靶点:

  IC50: 4.8 μM (rat brain monoamine oxidase)[1].

• 体内研究: 在小鼠中预处理Isocarboxazid(1,3 mg/kg,腹膜内注射,60分钟)显示5-HTP后15和30分钟时头部抽搐的数量显着增加[2]。与单独使用5-HTP的小鼠相比,小鼠中的Isocarboxazid(1,3 mg/kg,ip,60 min)处理与5-HTP一起施用导致43％的5-HT浓度增加和22％的5-HIAA降低[2]。动物模型：12只雄性小鼠dd株(20-25g)[2]剂量：0,0.3,1,3mg/kg给药：腹腔注射60分钟,静脉注射5-HTP结果：头部抽搐数量5-HTP增加后15和30分钟。 43％的5-HT浓度增加,22％的5-HIAA减少。
• 参考文献:

  [1]. MAXWELL DR, et al. Relative activity of some inhibitors of mono-amine oxidase in potentiating the action of tryptamine in vitro and in vivo. Br J Pharmacol Chemother. 1961 Dec;17:310-20.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NY2625000 CHEMICAL NAME : 3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide CAS REGISTRY NUMBER : 59-63-2 BEILSTEIN REFERENCE NO. : 0201295 LAST UPDATED : 199612 DATA ITEMS CITED : 17 MOLECULAR FORMULA : C12-H13-N3-O2 MOLECULAR WEIGHT : 231.28 WISWESSER LINE NOTATION : T5NOJ C1 EVMM1R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 4800 ug/kg/21W-I TOXIC EFFECTS : Nutritional and Gross Metabolic - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 280 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 199 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 193 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 138 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >40 mg/kg TOXIC EFFECTS : Gastrointestinal - nausea or vomiting TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 160 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 130 mg/kg SEX/DURATION : female 10-22 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - behavioral TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 100 mg/kg SEX/DURATION : female 10 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death TYPE OF TEST : DNA damage TYPE OF TEST : DNA damage MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : 49 mg/kg REFERENCE : JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 9,287,1982 *** REVIEWS *** TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 2,209,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6269 No. of Facilities: 9 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 339 (estimated) No. of Female Employees: 170 (estimated)

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301
• 警示性声明: Missing Phrase - N15.00950417
• 危险品运输编码: UN 3249
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2934999090

合成路线

19788-35-3 20570-96-1 ~% 59-63-2

文献：Journal of Heterocyclic Chemistry, , vol. 46, # 5 p. 909 - 913

91397-11-4 ~% 59-63-2

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145

62438-03-3 ~% 59-63-2

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145

100-52-7 ~% 59-63-2

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145

19788-35-3 555-96-4 ~% 59-63-2

文献：Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 US2908688 , ;

上下游产品

上游产品  6
19788-35-3 20570-96-1 91397-11-4 62438-03-3
100-52-7 555-96-4
下游产品  1
491594-42-4

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%