143545-90-8 柱孢藻毒素

中文名称: 柱孢藻毒素
英文名称: (2AR,3S,4R,5aR,7S)-7-((R)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl)-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,2a1,8-triazaacenaphthylen-4-yl hydrogen sulfate
CAS号
分子式: C₁₅H₂₁N₅O₇S
分子量: 415.42
更新日期: 2026-05-08

名称和标识

中文名: 柱孢藻毒素
英文名: (2AR,3S,4R,5aR,7S)-7-((R)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl)-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,2a1,8-triazaacenaphthylen-4-yl hydrogen sulfate
CAS号: 143545-90-8
分子式: C15H21N5O7S
分子量: 415.42
中文别名: 柱孢藻毒素
英文别名: (2aR,3S,4R,5aR,7S)-7-[(R)-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate; (2aS,3R,4S,5aS,7R)-7-[(S)-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate; (2aR,3S,4R,5aR,7S)-7-[(R)-(2,6-Dihydroxy-4-pyrimidinyl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate; 7-epicyclindrospermopsin; Cylindrospermopsin; epicylindrospermopsin; 2,4(1h,3h)-pyrimidinedione,6-(hydroxy(2,2a,3,4,5,5a,6,7-octahydro-3-methyl-4-(

物化属性

外观与性状: white powder
形态: 白色粉末
颜色/形态: White powder
其他实验性质: Absolute bimolecular hydroxyl radical reaction rate constant = 5.08X10+9/M-sec
储存条件/存储条件: −20°C
分子量: 415.4
分解温度: Cylindrospermopsin (CYN) is a potent toxic alkaloid produced by a number of cyanobacteria frequently found in lakes and reservoirs used as drinking water sources. We report for the first time detailed pathways for the degradation of CYN by treatment with ozone. This was accomplished by use of ultra-high-performance liquid chromatography (UHPLC)-quadrupole time-of-flight mass spectrometry (QTOF MS), which revealed that CYN is readily degraded by ozone with at least 36 transformation products. Structural similarities among the major products indicated that the carbon-carbon double bond in the uracil ring of CYN was most susceptible to attack by ozone. Furthermore, the nitrogen functionality associated with the tricyclic guanidine moiety is also involved via a degradation pathway that has not been previously observed. To assess the potential toxicity of ozonation products of CYN, the cytotoxicity of CYN and the mixture of its ozonation products was measured in a human hepatoma cell line (HepG2). The IC50 for CYN at 24 and 48 hr incubations was approximately 64.1 and 12.5 uM, respectively; however, the ozonation products of CYN did not exhibit measurable cytotoxicity to human cells. The results indicate ozone is an effective and practical method for CYN attenuation in water treatment without formation of overtly toxic transformation products.
密度: 2.0±0.1 g/cm3
折射率: 1.858
水溶解性: DMSO: soluble
溶解度/溶解性: Highly soluble in water
碰撞截面: 199.45 Å² [M+H]+
精确质量: 415.11616920
酸度系数(pKa): -3.78±0.18(Predicted)
化学性质: 甲醇溶液。熔点 -98℃(MeOH)。沸点 64℃/760mmHg(MeOH)。密度 ρ(20)0.792g/mL(MeOH)。闪点 51.8℉/11℃。
LogP: -1.22
PSA: 185.56000
XLogP3-AA计算的辛醇-水分配系数: -2.6 None
共价键单元数: 1 None
单同位素质量: 415.11616920
可旋转键数: 4 None
同位素原子数量: 0 None
复杂度: 866 None
定义的原子立体中心数: 6 None
定义的键立体中心数量: 0 None
形式电荷: 0 None
拓扑极性表面积: 178 Å²
未定义原子立体中心数: 0 None
未定义键立体中心数量: 0 None
氢键供体数量: 5 None
氢键受体数量: 8 None
电荷: 0
重原子数: 28 None
外观性质: 白色粉末

安全信息

安全说明

运输需冰袋运输。危险化学品，误服致命，可能致遗传缺陷，单次接触损害器官。LD50腹腔注射2100ug/kg，小鼠肝、肾等器官损伤。EPA建议饮用水中 cylindrospermopsin 限值：儿童<6岁0.7ug/L，6岁以上3.0ug/L。WGK Germany:3。

生产及用途

用途与制备

分析试剂；作为研究工具用于检测蓝藻毒素相关健康影响（如肠胃炎、肾脏疾病）及环境监测，其天然来源包括多种淡水蓝藻（如Cylindrospermopsis raciborskii等），在热带水域及受污染饮用水中广泛存在。

分析试剂

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