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海藻酸丙二酯

中文名称
海藻酸丙二酯
中文别名
藻酸丙二醇酯;褐藻酸丙二醇酯;海藻酸丙二醇酯(PGA);海藻酸丙二醇酯;藻朊酸丙二醇酯;丙二醇藻酸酯;藻酸-1,2-丙二醇酯
英文名称
Dricoid
英文别名
3-[3,4-dihydroxy-6-(2-hydroxypropoxycarbonyl)-5-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
海藻酸丙二酯化学式
CAS
——
化学式
C17H28O13
mdl
——
分子量
440.4
InChiKey
HDSBZMRLPLPFLQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -2.8
  • 重原子数:
    30
  • 可旋转键数:
    8
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.88
  • 拓扑面积:
    202
  • 氢给体数:
    6
  • 氢受体数:
    13

ADMET

代谢
在模拟胃液和模拟肠液中进行的丙二醇藻酸盐体外解研究表明,在模拟胃液中没有解,而在模拟肠液中,4小时内解了25%,12小时内解了65%,24小时内解了80%。
In vitro hydrolysis studies with propylene glycol alginate in simulated gastric juice and simulated intestinal juice showed no hydrolysis in simulated gastric juice, while intestinal juice hydrolyzed 25% in 4 hr, 65% in 12 hr and 80% in 24 hr ... .
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
使用人WI-38细胞进行染色体畸变试验,浓度高达1.0毫克/毫升的结果为阴性(无代谢激活)/见表格/
Results of chromosomal aberration assay using human WI-38 cells at up to 1.0 mg/ml were negative (without metabolic activation) /From table/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
五十名已知对多种物质过敏的人通过皮肤测试了不同稀释度的丙二醇藻酸盐。另外五十名没有过敏史或家族过敏史的人作为对照组。其中十一人出现了轻微到中度的皮肤反应(测试组8人,对照组3人)。当五名反应最强烈的人(均在测试组)摄入丙二醇藻酸盐后,其中三人均出现了轻微的过敏反应,并且在重复测试中复现了这一反应。三名皮肤反应非常轻微的对照组个体,对口服丙二醇藻酸盐没有反应……。
Fifty individuals known to be allergic to numerous substances were tested intradermally with various dilutions of propylene glycol alginate. Fifty other individuals without an allergic history or family history of allergy were used as controls. Eleven individuals showed slight to moderate skin reactions (8 in test group, 3 in control group). When five of those showing the greatest reactions (all in test group) were fed propylene glycol alginate three showed mild allergic reactions which were duplicated in repeated tests. Three control individuals, who showed very slight skin reactions, did not react to oral admin of propylene glycol alginate ... .
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
五名健康男性志愿者每天口服175毫克丙二醇藻酸盐/千克体重,持续7天,随后在接下来的16天中剂量增加到每天200毫克/千克体重。每天的剂量分三次等量服用,间隔一天。治疗期前有一个7天的初始对照期。在初始对照期的第3天,23天治疗期的最后一天以及7天恢复期的最后一天,检查了以下参数:空腹血糖、血浆胰岛素、呼吸氢气浓度、血液学参数和生化学参数。在初始对照周和治疗第三周期间进行了常规尿液分析。在初始对照期的第2至6天和治疗期的第16至20天,进行了为期5天的粪便收集。没有观察到过敏反应。丙二醇藻酸盐对粪便参数没有显著影响。三名志愿者的粪便通过时间保持不变,一名增加,一名减少。粪便总挥发性脂肪酸和总胆汁酸以及各个单独的挥发性脂肪酸胆汁酸没有显示出变化。每个志愿者的粪便总中性甾醇胆固醇都有所下降。血液学、生化学和尿液化验参数没有显著变化。
Five healthy male volunteers received 175 mg propylene glycol alginate/kg bw/day orally for 7 days, followed by 200 mg/kg bw/dy for a further 16 days. The daily doses were consumed in three measured portions at intervals each day. ... The treatment period was preceded by a 7 day initial control period. ... At day 3 of the initial control period, on the last day of the 23-day treatment period and on the last day of the 7 day recovery period the following parameters were examined: fasting blood glucose, plasma insulin, breath hydrogen concn, hematological parameters ... and biochemical parameters. ... Routine urinalysis was carried out during the initial control wk and during the third wk of treatment. Five day fecal collections were made during days 2-6 of the initial control period and during days 16-20 of the treatment period. ... No allergic reactions were observed. Propylene glycol alginate exerted no significant effects on fecal parameters. ... Fecal transit time was constant in 3 volunteers, increased in one and decreased in one. Fecal total and individual volatile fatty acids and total and individual bile acids did not show changes. Fecal total neutral sterols and cholesterol decreased in each volunteer. Hematological, biochemical and urinary parameters did not show significant changes ... .
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
在动物上实验性伤口的应用没有在应用部位产生伤害,也没有延迟愈合。/藻酸/
APPLICATION TO EXPTL WOUNDS IN ANIMALS PRODUCED NO INJURY @ SITE OF APPLICATION, & NO RETARDATION OF HEALING. /ALGINIC ACID/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
丙二醇藻酸盐对酿酒酵母的宿主介导分析未产生致突变反应。在体外对沙门氏菌属伤寒的测试中未展示出致突变反应。
HOST-MEDIATED ASSAY OF PROPYLENE GLYCOL ALGINATE DID NOT PRODUCE MUTAGENIC RESPONSE FOR SACCHAROMYCES CEREVISIAE. NO MUTAGENIC RESPONSE DEMONSTRATED IN IN VITRO TESTS ON SALMONELLA TYPHIMURIUM.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
当给予小鼠单次剂量为1克/千克的碳14标记的丙二醇藻酸盐或碳14标记的丙二醇藻酸酯时,未解的酯和藻酸盐残留物未被胃肠道吸收,而解的丙二醇被吸收、代谢并排出体外,在5天内通过粪便排出。
WHEN PROPYLENEGLYCOL (14)C ALGINATE OR (14)C PROPYLENEGLYCOL ALGINATE...DOSED TO MICE, UNHYDROLYZED ESTER & ALGINATE RESIDUE...UNABSORBED FROM GI TRACT... HYDROLYZED PROPYLENEGLYCOL...ABSORBED...METABOLIZED & ELIMINATED... SINGLE DOSE OF 1 G/KG...EXCRETED IN FECES...IN 5 DAYS...
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在单次给药5克/千克后,5天后直肠中仍有微量标签存在。
...AFTER A /SINGLE/ DOSE OF 5 G/KG, TRACES OF LABEL WERE STILL PRESENT IN RECTUM /AFTER 5 DAYS/.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
从海带(Laminaria digitata)中提取的琼脂,在大鼠饮食中占每日10%的量时,未被大鼠吸收。/琼脂酸盐/
ALGINATE PREPARED FROM LAMINARIA DIGITATA WAS UNABSORBED BY RATS FED AT A LEVEL OF 10% OF THEIR DAILY DIET. /ALGINATES/
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
丙二醇藻酸盐5克/千克体重(作为10%的溶液),在藻酸盐部分用(14)C标记,或者聚丙二醇藻酸盐1克/千克体重(作为5%的溶液),在聚丙二醇部分用(14)C标记,通过灌胃给小鼠(每组8只)单次给药。从给药后1小时到5天,通过全身自动放射性成像跟踪放射性的吸收、分布和排泄。单次给药1克/千克体重的聚丙二醇藻酸盐中的一部分(在聚丙二醇部分标记的)被吸收,但并非全部。未吸收的部分在3天内通过粪便排出,而吸收的放射性迅速分布到全身,主要集中在肝脏,并在3-4天内从所有组织中完全清除。这些发现与标记的自由聚丙二醇及其代谢物的放射性命运一致。给药5克/千克体重的聚丙二醇藻酸盐(在藻酸盐部分标记)后5天,仍然在直肠中检测到少量的放射性。得出结论,释放的聚丙二醇被吸收并通过通常的途径(转化为醋酸盐乳酸盐糖原)代谢,并在5天内完全从体内消失。藻酸盐部分和未解的聚丙二醇藻酸盐未从胃肠道吸收,而是通过粪便排出...。
Five g of propylene glycol alginate/kg bw (as a 10% aq soln), labeled with (14)C in the alginate moiety, or 1 g of propylene glycol alginate/kg bw (as a 5% aq soln), labeled with (14)C in the propylene glycol moiety, was admin as a single dose to mice (8/group) by gavage. Absorption, distribution and excretion of radioactivity were followed from 1 hr to 5 days after admin by whole body autoradiography. Some, but not all, of the label (labeled in the propylene glycol moiety) in a single dose of 1 g propylene glycol alginate/kg bw was absorbed. The unabsorbed portion was excreted in the feces within 3 days while the absorbed radioactivity was distributed rapidly over the whole body, was concn in the liver and was completely removed from all tissues in 3-4 days. These findings are consistent with the fate of absorbed radioactivity from labeled free propylene glycol and its metabolites. Five days after admin of 5 g propylene glycol alginate (labeled in the alginate moiety)/kg bw traces of radioactivity were still noted in the rectum. It was concluded that released propylene glycol was absorbed and metabolized by the usual pathways (to acetate, lactate or glycogen) and had disappeared completely from the body after 5 days. The alginate moiety and the unhydrolyzed propylene glycol alginate were not absorbed from the GI tract, but excreted in the feces ... .
来源:Hazardous Substances Data Bank (HSDB)