壬基酚聚醚-8 | 14409-72-4

• 物质功能分类: 原料药 - 激素及调节内分泌功能类药 - 避孕药
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 壬基酚聚醚-8
• 中文别名: 壬基酚聚氧乙烯醚(N=10)；TX-10；壬基酚聚氧乙烯醚；NPE-10；壬苯聚醇-9；壬苯醇醚9；烷基酚聚氧乙烯醚；壬基酚聚醚-9；乳化剂NP-9；壬苯醇醚-10；乳化OP-10；乳化剂NP-10
• 英文名称: nonoxynol 9
• 英文别名: Igepal CO 630；Nonaethylene glycol nonylphenyl ether；2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• CAS: 14409-72-4；26571-11-9
• 化学式: C₃₃H₆₀O₁₀
• 分子量: 616.833
• InChiKey: FBWNMEQMRUMQSO-UHFFFAOYSA-N

物化性质

• 密度：
  1.044
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）
• 沸点：
  662.1±55.0 °C(Predicted)
• 物理描述：
  Solid
• 颜色/状态：
  Almost colorless liquid
• 熔点：
  6 °C
• 闪点：
  197 °C (closed cup)
• 蒸汽密度：
  Relative vapor density (air = 1): >1
• 蒸汽压力：
  4.61X10-18 mm Hg at 25 °C (est)
• 粘度：
  175-250 cP at 25 °C
• 碰撞截面：
  245.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  43
• 可旋转键数：
  35
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  10

ADMET

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用概述：壬苯醇醚-9是一种相对无毒的非离子表面活性剂，动物阴道给药后，仅在乳汁中发现了微量的药物。[1] 有限的信息表明，使用阴道壬苯醇醚-9的哺乳期母亲的婴儿没有出现不良反应。哺乳期母亲可以使用阴道壬苯醇醚-9。 ◉ 对哺乳婴儿的影响：在一项比较各种避孕方法的研究中，使用含有壬苯醇醚-9的泡沫剂的哺乳妇女的婴儿没有观察到不良反应。[2] ◉ 对泌乳和母乳的影响：与含有乙炔雌二醇30微克和左炔诺孕酮150微克的复合避孕药相比，使用壬苯醇醚-9泡沫剂或含铜T型宫内节育器的妇女，其泌乳受到的抑制小于复方口服避孕药。[2]

◉ Summary of Use during Lactation:Nonoxynol-9 is a relatively nontoxic nonionic surfactant and only trivial amounts of the drug have been found in the milk of animals after vaginal administration.[1] Limited information indicates that breastfed infants of mothers using vaginal nonoxynol-9 experienced no adverse effects. Vaginal use of nonoxynol-9 is acceptable in nursing mothers. ◉ Effects in Breastfed Infants:In a study comparing various methods of contraception, the breastfed infants of women who used a nonoxynol-9-containing foam had no observable adverse effects.[2] ◉ Effects on Lactation and Breastmilk:Compared with a combination contraceptive containing ethinyl estradiol 30 mcg and levonorgestrel 150 mcg, women who used either nonoxynol-9 foam or copper-T IUD had less inhibition of lactation than the combined oral contraceptive.[2]

来源:Drugs and Lactation Database (LactMed)

毒理性

• 暴露途径

该物质可以通过摄入被身体吸收。

The substance can be absorbed into the body by ingestion.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 眼睛症状

Redness.

Redness.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预防癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）持续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能吞咽、有强烈的干呕反射且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在静脉注射了标记有(14)C-诺伍德醇-9的小鼠中，报告显示在小肠和大肠中发现了最高的放射性活性。(14)C放射性主要通过尿液和粪便排出。对尿液和胆汁的高效液相色谱(HPLC)分析表明，胆汁或尿液中没有完整的诺伍德醇-9存在，且诺伍德醇-9被代谢成了极性很高的物质。

In mice intravenously injected with (14)C-Nonoxynol-9, the highest amounts of radioactivity were reported for the small and large intestines. (14)C radioactivity was excreted mainly in the urine and feces. An HPLC analysis of the urine and bile indicated that no intact Nonoxynol-9 was present in the bile or urine, and that Nonoxynol-9 was metabolized to highly polar species.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在体外皮肤渗透研究中使用尸体皮肤（冲洗和保留协议），Nonoxynol-2、-4和-9的总皮肤渗透在48小时内小于1%。

In in vitro skin penetration studies using cadaver skin (rinse off and leave-on protocols), the total skin penetration of Nonoxynol-2, -4, and -9 was less than 1 % over a period of 48 hours.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

非氧化壬基-9在乙烯氧化物单元上用(14)C标记的处置在给雌性Sprague-Dawley大鼠静脉注射或阴道给药后进行了研究。阴道给药研究的结果表明，在6.0小时内，(14)C放射活性的吸收率为12.8%，在24.0小时内为37.7%。组织分布研究表明，无论是通过哪种给药途径，小肠和大肠及其内容物具有最高的(14)C活性。在静脉注射(14)C非氧化壬基-9后6.0小时收集的胆汁和6.0、24.0和48.0小时收集的尿液进行放射性监测高效液相色谱（HPLC）分析，结果显示该化合物在大鼠体内被完全代谢。代谢物主要通过粪便排出，其次通过尿液排出。静脉注射后6.0小时尿液中含(14)C标记的代谢物分析表明，存在高度极性的中性（53.27%）和酸性（39.23%）物质。

The disposition of nonoxynol-9 labeled with (14)C at the ethylene oxide units was studied following an iv or vaginal administration to female Sprague-Dawley rats. The results from the vaginal administration studies indicate 12.8% absorption of (14)C radioactivity in 6.0 hr and 37.7% in 24.0 hr. Tissue distribution studies showed that the small and large intestines, including their contents, had the highest (14)C activity by either route of administration. Radiomonitored HPLC of bile collected at 6.0 hr and urine at 6.0, 24.0, and 48.0 hr following an iv injection of (14)C nonoxynol-9 showed that the compound was completely metabolized in the body of the rat. The metabolites were primarily excreted in the feces and secondarily in the urine. Analysis of urinary metabolites containing the (14)C label, 6.0 hr following an iv dose, indicated the presence of highly polar neutral (53.27%) and acidic (39.23%) species.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2909499000

制备方法与用途

乳化剂NP-10是一种无色透明液体，具有良好的润湿、乳化、分散和匀染等性能。它是由壬基酚与9摩尔环氧乙烷在高温下催化缩合制得。

应用

乳化剂NP-10主要用作合成洗涤剂的主要原料，并广泛应用于纺织、造纸、石油、冶金等行业。此外，它还被用于日用化工和纺织印染行业。同时，乳化剂NP-10也可作为气相色谱固定液使用。

反应信息

• 作为反应物：
  描述：

  壬基酚聚醚-8 、 3-(全氟正辛基)-1,2-环氧丙烷 在 三氟化硼乙醚 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.5h， 生成
  参考文献：
  名称：

  New fluorinated compounds, their synthesis and use

  摘要：

  新的氟化合物及其制备方法。这些化合物特别但不仅仅用作氟表面活性剂或固体润滑剂，以增加构成水上船舶船体和/或其包覆材料、雪橇、滑道、滑雪板底部等表面的滑动特性和抗油性。这些具有通式（I）的化合物可以单独使用或溶液中使用，纯净的或与其他类似或不同的氟化合物混合使用。

  公开号：

  EP2343270A3

文献信息

• HAIR COLORING COMPOSITIONS
  申请人：——

  公开号：US20020032933A1

  公开（公告）日：2002-03-21

  A hair coloring composition comprising: (a) from about 0.0003 moles (per 100 g of composition) to less than about 0.09 moles (per 100 g of composition) of an inorganic peroxygen oxidizing agent; and (b) an oxidative hair coloring agent; wherein the pH of each of (a) and (b) is in the range of from about 1 to about 6 and wherein the combined mixture of (a) and (b) has a pH in the range of from about 1 to about 6. The products can provide excellent hair coloring and in-use efficacy benefits including excellent initial color and good wash fastness in combination with reduced hair damage at low pH.

  一种染发组合物，包括：(a)约0.0003摩尔（每100克组合物）至约0.09摩尔（每100克组合物）的无机过氧化氧化剂；和(b)氧化性染发剂；其中(a)和(b)的pH值在约1至约6的范围内，且(a)和(b)的混合物的pH值在约1至约6的范围内。该产品可以提供出色的染发效果和使用效果，包括出色的初始颜色和良好的耐洗性，同时在低pH值下减少头发损伤。
• [EN] BIORESPONSIVE POLYMER SYSTEM FOR DELIVERY OF MICROBICIDES<br/>[FR] SYSTEME POLYMERE BIOSENSIBLE POUR L'ADMINISTRATION DE MICROBICIDES
  申请人：UNIV UTAH RES FOUND

  公开号：WO2005097210A1

  公开（公告）日：2005-10-20

  The polymer systems of the present invention degrade in the presence of an ejaculate. They may further provide degradable sequences that degrade upon contact with an ejaculate and/or microbicides. The polymer systems of the present invention are of use in the oral, rectal or vaginal cavities of an individual for such purposes as the treatment or prevention of sexually transmitted disease, the prevention or promotion of fertility or for hormone replacement therapy.

  本发明的聚合物系统在射精的存在下降解。它们还可以提供在接触射精和/或杀微生物剂时降解的可降解序列。本发明的聚合物系统适用于个人的口腔、直肠或阴道腔道，用于治疗或预防性传播疾病、预防或促进生育或用于激素替代疗法。
• [EN] QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME<br/>[FR] COMPOSÉS DE QUINOLIN-4-ONE ET DE 4(1H)-CINNOLINONE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：FREQUENCY THERAPEUTICS INC

  公开号：WO2020163816A1

  公开（公告）日：2020-08-13

  The present disclosure relates to quinolin-4-one and 4(1H)-cinnolinone compounds and methods of using them to induce self-renewal of stem/progenitor supporting cells, including inducing the stem/progenitor cells to proliferate while maintaining, in the daughter cells, the capacity to differentiate into tissue cells.

  本公开涉及喹啉-4-酮和4(1H)-喹啉酮化合物，以及使用它们诱导干/祖细胞支持细胞自我更新的方法，包括诱导干/祖细胞增殖，同时在子细胞中保持分化为组织细胞的能力。
• [EN] CHEMICAL ENTITIES<br/>[FR] ENTITÉS CHIMIQUES
  申请人：FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III

  公开号：WO2014140644A1

  公开（公告）日：2014-09-18

  Provided are chemical entities selected from compounds of formula (I), wherein R1, R2 and m have meanings given in the description, and pharmaceutically acceptable salts, solvates and stereoisomers thereof, which are inhibitors of ATR and are potentially useful in the treatment of cancer. Further provided are pharmaceutical compositions of the chemical entities, combination products containing the chemical entities, the use of the compositions as therapeutic agents, and methods of treatment using these compositions.

  提供了从式(I)的化合物中选择的化学实体，其中R1、R2和m的含义如描述中所给出，并且它们的药学上可接受的盐、溶剂合物和立体异构体，这些化合物是ATR的抑制剂，可能在癌症治疗中有用。此外，还提供了这些化学实体的药物组合物、含有这些化学实体的组合产品、将这些组合物用作治疗剂的用途，以及使用这些组合物进行治疗的方法。
• [EN] SURFACTANTS<br/>[FR] TENSIOACTIFS
  申请人：AMYRIS INC

  公开号：WO2012103156A1

  公开（公告）日：2012-08-02

  This application relates to derivatives of hydrocarbon terpenes (e.g., myrcene or farnesene), to methods of making the derivatives, and to the use of the derivatives as surfactants.

  这个应用涉及到碳氢化合物萜类化合物（例如，肉豆蔻烯或芬尼烯）的衍生物，制备这些衍生物的方法，以及将这些衍生物用作表面活性剂的用途。