13551-87-6

• 常用中文名：1-甲氧基-3-(2-硝基-1H-咪唑-1-基)丙-2-醇
• 常用英文名：Misonidazole
• CAS号：13551-87-6
• 分子式：C₇H₁₁N₃O₄
• 分子量：201.180
• 相关类别： 信号通路 抗感染 细菌
• 发布时间：2018-07-25 20:15:36
• 更新时间：2024-01-08 11:32:03
• 米索尼咪唑(Ro 7-0582；SR 1354)是一种缺氧肿瘤细胞放射增敏剂[1]。米索尼咪唑也有抗菌作用[2]。

名称

• 中文名: 米索硝唑
• 英文名: 1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
• 英文别名: α-(Methoxymethyl)-2-nitroimidazole-1-ethanol; 1-Methoxy-3-(2-nitro-1H-imidazol-1-yl)-2-propanol; misonidazol; 1-Methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol; Misonidazole; a-(Methoxymethyl)-2-nitro-1H-imidazole-1-ethanol; Ro 7-0582; Imidazole-1-ethanol, α- (methoxymethyl)-2-nitro-; 1H-Imidazole-1-ethanol, α- (methoxymethyl)-2-nitro-; EINECS 236-931-6; SRI 1354; 1-Methoxy-3-(2-nitro-1-imidazolyl)-2-propanol; 1H-Imidazole-1-ethanol, α-(methoxymethyl)-2-nitro-

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 438.5±55.0 °C at 760 mmHg
• 分子式: C₇H₁₁N₃O₄
• 分子量: 201.180
• 闪点: 219.0±31.5 °C
• 精确质量: 201.074951
• PSA: 93.10000
• LogP: -0.28
• 外观性状: 固体
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.583
• 储存条件: -20°C， 密封， 干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:5

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:93.1

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:196

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: 米索尼咪唑(Ro 7-0582；SR 1354)是一种缺氧肿瘤细胞放射增敏剂[1]。米索尼咪唑也有抗菌作用[2]。
• 相关类别:
  研究领域 >> 癌症
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 细菌
• 参考文献:

  [1]. Bibo Li, et al. Preparation, Characterization, and In Vitro pH-sensitivity Evaluation of Superparamagnetic Iron Oxide Nanoparticle- Misonidazole pH-sensitive Liposomes. Curr Drug Deliv. 2019;16(3):254-267.

  [2]. R C Knight, et al. Mechanism of action of nitroimidazole antimicrobial and antitumour radiosensitizing drugs. Effects of reduced misonidazole on DNA. Int J Radiat Biol Relat Stud Phys Chem Med. 1979 Oct;36(4):367-77.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NI5572000 CHEMICAL NAME : Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro- CAS REGISTRY NUMBER : 13551-87-6 BEILSTEIN REFERENCE NO. : 0613655 LAST UPDATED : 199612 DATA ITEMS CITED : 36 MOLECULAR FORMULA : C7-H11-N3-O4 MOLECULAR WEIGHT : 201.21 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Human - man DOSE/DURATION : 228 mg/kg/3W-I TOXIC EFFECTS : Skin and Appendages - dermatitis, allergic (after systemic exposure) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2131 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >1 gm/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 : 1869 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 : 1340 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 : 1414 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 : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1300 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 : Unreported SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 1700 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 : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5360 mg/kg/20D-I TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 670 mg/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 670 mg/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 1 gm/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : Micronucleus test TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Sister chromatid exchange MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 5 mmol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,289,1980

安全

• 海关编码: 2933290090

海关

海关编码	2933290090
中文概述	2933290090. 其他结构含非稠合咪唑环的化合物. 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	2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%