2-hydroxy-N-(2-hydroxyethyl)ethanaminium 6-oxo-1,2,3,6-tetrahydropyridazin-3-olate | 5716-15-4

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-hydroxy-N-(2-hydroxyethyl)ethanaminium 6-oxo-1,2,3,6-tetrahydropyridazin-3-olate
• 英文别名: bis(2-hydroxyethyl)azanium;6-oxo-1H-pyridazin-3-olate
• CAS: 5716-15-4
• 化学式: C8H15N3O4
• 分子量: 217.22
• InChiKey: JRIDWRXQHJJLPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.38
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  111
• 氢给体数：
  5
• 氢受体数：
  5

ADMET

毒理性

• 人类毒性摘录

实验用雪茄烟,是用经过生长抑制剂琥珀酸酐二乙醇胺处理的烟叶制成的,这种烟叶中含有115-420 ppb的N-亚硝基二乙醇胺,其烟雾中含有20-290 ng/支的N-亚硝基二乙醇胺,而手工采摘的烟叶及其烟雾中没有N-亚硝基二乙醇胺。N-亚硝基二乙醇胺是一种相对较强的致癌物质,根据这项研究的结果,使用琥珀酸酐二乙醇胺作为烟草的栽培方法值得商榷。

EXPERIMENTAL CIGARETS MADE FROM TOBACCOS WHICH WERE TREATED WITH SUCKER GROWTH INHIBITOR MALEIC HYDRAZIDE-DIETHANOLAMINE CONTAINED 115-420 PPB OF N-NITROSODIETHANOLAMINE & THEIR SMOKE CONTAINED 20-290 NG/CIGARET, WHEREAS HAND-SUCKERED TOBACCO & ITS SMOKE WERE FREE OF N-NITROSODIETHANOLAMINE. N-NITROSODIETHANOLAMINE IS A RELATIVELY STRONG CARCINOGEN & BASED ON RESULTS OF THIS STUDY THE USE OF MALEIC HYDRAZIDE-DIETHANOLAMINE FOR THE CULTIVATION OF TOBACCO IS QUESTIONED.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在动物身上，它会导致震颤和肌肉痉挛。对皮肤没有影响，除了可能的致敏作用。

IN ANIMALS IT CAUSES TREMORS & MUSCLE SPASMS. NO EFFECT ON SKIN, EXCEPT POSSIBLE SENSITIZATION.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

报告显示，在Tradescantia突变性试验中，二乙醇胺-顺丁烯二酸酐显示出高致突变活性，其中在雄蕊毛中观察到了体细胞突变。对于每种处理方法，使用克隆4430的带有花序的30-40个插条和克隆02的15-20个插条，用溶解在0.05 M 柠檬酸-磷酸缓冲液（pH 5.5）中的顺丁烯二酸酐及其盐处理。二乙醇胺顺丁烯二酸酐仅在花序上应用24小时，温度为25°C。在控制环境室中进行培养，光照时间为16小时，光子流率为400-700 nm，300微摩尔/平方米/秒，日间（夜间）温度为25 (18) °C。每天大约评分1500-3000个雄蕊毛。根据Underbrink的方法对突变事件的发生频率进行评分。将一个或多个连续的粉红色细胞视为由一个突变事件引起。

REPORTING HIGH MUTAGENIC ACTIVITY OF DIETHANOLAMINE-MALEIC HYDRAZIDE IN THE TRADESCANTIA MUTAGENICITY ASSAY, IN WHICH SOMATIC MUTATIONS IN THE STAMEN HAIRS WERE OBSERVED. FOR EACH TREATMENT, 30-40 CUTTINGS WITH INFLORESCENCES OF CLONE 4430, & 15-20 CUTTINGS OF CLONE 02, WERE TREATED WITH MALEIC HYDRAZIDE & ITS SALTS, DISSOLVED IN 0.05 M CITRATE-PHOSPHATE BUFFER PH 5.5. DIETHANOLAMINE MALEIC HYDRAZIDE WAS APPLIED ONLY ON INFLORESCENCES FOR 24 HR @ 25 °C. CULTIVATION TOOK PLACE IN A CONTROLLED-ENVIRONMENT CHAMBER WITH A 16 HR DAY & PHOTON FLUENCE RATE OF 400-700 NM, 300 UMOLES/SQ M/SEC & 25 (18) °C DAY (NIGHT) TEMP. ABOUT 1500-3000 STAMEN HAIRS WERE SCORED EACH DAY. FREQUENCY OF MUTATION EVENTS SCORED ACCORDING TO METHOD OF UNDERBRINK. ONE OR MORE CONTIGUOUS PINK CELLS WERE CONSIDERED TO HAVE RESULTED FROM ONE MUTATION EVENT.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

马来酸二氢酯及其二乙醇胺盐在大鼠中通过皮下注射（每周两次，每次2毫克，持续65周）并未显著增加肿瘤的发生率。

MALEIC HYDRAZIDE & ITS DIETHANOLAMINE SALT DID NOT APPRECIABLY INCR THE INCIDENCE OF TUMORS IN RATS WHEN GIVEN SC (2 MG TWICE WEEKLY FOR 65 WK).

来源:Hazardous Substances Data Bank (HSDB)

文献信息

• Methods and compositions for increasing the efficacy of biologically-active ingredients
  申请人：Windsor Brian J.

  公开号：US20060276339A1

  公开（公告）日：2006-12-07

  The invention provides methods and compositions for modulating the sensitivity of cells to cytotoxic compounds and other active agents. In accordance with the invention, compositions are provided comprising combinations of ectophosphatase inhibitors and active agents. Active agents include antibiotics, fungicides, herbicides, insecticides, chemotherapeutic agents, and plant growth regulators. By increasing the efficacy of active agents, the invention allows use of compositions with lowered concentrations of active ingredients.