86-54-4

• 常用中文名：肼酞嗪
• 常用英文名：Hydralazine
• CAS号：86-54-4
• 分子式：C₈H₈N₄
• 分子量：160.17600
• 相关类别： 医药中间体 杂环化合物 哒嗪类化合物
• 发布时间：2018-04-15 08:00:00
• 更新时间：2024-01-07 12:04:17
• 肼屈嗪是一种口服活性降压药,通过松弛动脉血管平滑肌细胞层直接降低外周阻力。肼屈嗪具有抗氧化活性,并且抑制活性氧(ROS)释放和O2生成,IC50值分别为9.53 mM和1.19 mM[1][2]。

名称

• 中文名: 肼酞嗪
• 英文名: hydralazine
• 中文别名: 肼苯哒嗪; 1-肼基-2,3-二氮杂萘
• 英文别名: hidralazin; hipoftalin; Phthalazine,1-hydrazinyl-; aprezolin; ciba5968; EINECS 201-680-3; apresoline; apresolin; 1-hydrazino-phthalazine; apressin

物化性质

• 密度: 1.2583 (rough estimate)
• 沸点: 276.07°C (rough estimate)
• 熔点: 172ºC
• 分子式: C₈H₈N₄
• 分子量: 160.17600
• 精确质量: 160.07500
• PSA: 63.83000
• LogP: 1.68870
• 外观性状: 黄色针状
• 折射率: 1.5872 (estimate)
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积63.8

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:150

  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:0

  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: 肼屈嗪是一种口服活性降压药,通过松弛动脉血管平滑肌细胞层直接降低外周阻力。肼屈嗪具有抗氧化活性,并且抑制活性氧(ROS)释放和O2生成,IC50值分别为9.53 mM和1.19 mM[1][2]。
• 相关类别:
  研究领域 >> 心血管疾病
  研究领域 >> 炎症/免疫
• 靶点:

  IC50: 9.53 mM (ROS), 1.19 mM (O2·-)[1]

• 参考文献:

  [1]. Arce C, Segura-Pacheco B, Perez-Cardenas E, Taja-Chayeb L, Candelaria M, Dueñnas-Gonzalez A. Hydralazine target: from blood vessels to the epigenome. J Transl Med. 2006 Feb 28;4:10.

  [2]. Leiro JM, et al. Antioxidant activity and inhibitory effects of hydralazine on inducible NOS/COX-2 gene and protein expression in rat peritoneal macrophages. Int Immunopharmacol. 2004 Feb;4(2):163-77.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TH8925000 CHEMICAL NAME : Phthalazine, 1-hydrazino- CAS REGISTRY NUMBER : 86-54-4 BEILSTEIN REFERENCE NO. : 0132615 LAST UPDATED : 199612 DATA ITEMS CITED : 29 MOLECULAR FORMULA : C8-H8-N4 MOLECULAR WEIGHT : 160.20 WISWESSER LINE NOTATION : T66 CNNJ BMZ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 2086 mg/kg/2Y-I TOXIC EFFECTS : Skin and Appendages - dermatitis, allergic (after systemic exposure) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 730 mg/kg/2Y-I TOXIC EFFECTS : Skin and Appendages - dermatitis, allergic (after systemic exposure) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Human - man DOSE/DURATION : 89 ug/kg TOXIC EFFECTS : Cardiac - cardiomyopathy including infarction Cardiac - changes in coronary arteries TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 90 mg/kg TOXIC EFFECTS : Cardiac - pulse rate increase, without fall in BP Vascular - BP lowering not characterized in autonomic section TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25 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 : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 34 mg/kg TOXIC EFFECTS : Cardiac - change in rate Behavioral - somnolence (general depressed activity) Gastrointestinal - nausea or vomiting TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 122 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 : 100 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 : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 52 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 : 100 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 : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 50 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 - rabbit DOSE/DURATION : 300 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 - guinea pig DOSE/DURATION : 250 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 : 3600 mg/kg/5W-I TOXIC EFFECTS : Blood - normocytic anemia Blood - changes in other cell count (unspecified) Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9360 mg/kg/26W-I TOXIC EFFECTS : Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 45427 mg/kg/2Y-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 7 mg/kg SEX/DURATION : female 34-35 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 54 mg/kg SEX/DURATION : female 26-39 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 330 mg/kg SEX/DURATION : female 1-22 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) TYPE OF TEST : Specific locus test MUTATION DATA TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Rodent - rabbit Liver DOSE/DURATION : 5 mmol/L REFERENCE : PNASA6 Proceedings of the National Academy of Sciences of the United States of America. (National Academy of Sciences, Printing & Pub. Office, 2101 Constitution Ave., Washington, DC 20418) V.1- 1915- Volume(issue)/page/year: 79,1269,1982 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 24,85,1980 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,222,1987 TOXICOLOGY REVIEW INTEAG Internist. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1960- Volume(issue)/page/year: 15,7,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4187 No. of Facilities: 85 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 8409 (estimated) No. of Female Employees: 7509 (estimated)

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