Mexoryl SX | 92761-26-7

• 物质功能分类: 分析化学 - 标准品 - 挥发性有机化合物(VOCs)
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Mexoryl SX
• 英文别名: [(3Z)-3-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
• CAS: 92761-26-7
• 化学式: C₂₈H₃₄O₈S₂
• 分子量: 562.7
• InChiKey: HEAHZSUCFKFERC-AXPXABNXSA-N

物化性质

• 熔点：
  255° (dec)
• 密度：
  1.424±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 颜色/状态：
  Solid
• 蒸汽压力：
  6.28X10-23 mm Hg at 25 °C (est)
• 稳定性/保质期：
  Stable under recommended storage conditions.

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  8

ADMET

毒理性

• 毒性总结

识别和使用：对苯二甲酰亚胺二樟脑磺酸是一种固体。它被用作广谱UVA吸收剂，并具有一定的UVB吸收能力。它已经在动物中作为紫外线屏幕进行了测试。人体研究：无数据可用。动物研究：在大鼠中进行的90天口服重复剂量研究中，在300 mg/kg/天的剂量下未发现与剂量相关的效果。在1,000 mg/kg/天的剂量下，雄性在第四周出现了磷质血症，雌性在第13周出现了蛋白质、白蛋白和球蛋白水平的降低。有证据表明，喂食对苯二甲酰亚胺二樟脑磺酸的雄性动物甲状腺重量有所变化，然而，由于对照组动物被发现甲状腺重量异常低，这一观察结果的有效性存在疑问。随后的21天研究使用三乙酰胺和钠盐对甲状腺代谢进行研究，在305 mg/kg和444 mg/kg的剂量下未发现与治疗相关的变化。

IDENTIFICATION AND USE: Terephthalylidene dicamphor sulfonic acid is a solid. It is used as broad spectrum UVA absorber with some UVB absorption. It has been tested as an ultraviolet screen in animals. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: In a 90-day oral repeat dose study in rats, no dose related effects were found at 300 mg/kg/day. At 1,000 mg/kg/day there was phosphoremia in males at week 4 and decreased protein, albumin and globulin levels in females at week 13. There was some evidence of variation in thyroid weight in the male animals fed terephthalylidene dicamphor sulfonic acid, however, there was some doubt as to validity of this observation as the control animals were found to have unusually low thyroid weights. Follow up 21-day studies using the triethalanoamine and sodium salts on thyroid metabolism found no treatment related changes at dose rates of 305 mg/kg and 444 mg/kg respectively.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分去污。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、气囊面罩装置或口袋面罩，按培训操作。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，让患者向前倾或放在左侧（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 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，如果患者能够吞咽，有强烈的咳嗽反射，并且不流口水，用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污染后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒物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)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于昏迷、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽插管以控制气道。使用带气囊的面罩进行正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注5%葡萄糖水（D5W），保持通路开放，最低流量/ SRP: "To keep open", minimal flow rate /. 如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸钠林格液（LR）。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象……。用安定（地西泮）或劳拉西泮（阿提凡）治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/毒素A和B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：亚慢性或亚急性暴露/ 在一项大鼠90天口服重复剂量研究中，在300 mg/kg/天的剂量下未发现与剂量相关的效应。在1,000 mg/kg/天的剂量下，雄性大鼠在第4周出现了磷血症，雌性大鼠在第13周出现了蛋白质、白蛋白和球蛋白水平的降低。有一些证据表明，喂食对苯二甲酰亚胺二樟脑磺酸的大鼠甲状腺重量有所变化，然而，由于对照组动物被发现甲状腺重量异常低，这一观察结果的有效性存在一些疑问。随后的21天研究使用三乙基丙醇胺和钠盐（未经审计）对甲状腺代谢进行了研究，发现在305 mg/kg和444 mg/kg的剂量率下没有与治疗相关的变化。

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ In a 90-day oral repeat dose study in rats, no dose related effects were found at 300 mg/kg/day. At 1,000 mg/kg/day there was phosphoremia in males at week 4 and decreased protein, albumin and globulin levels in females at week 13. There was some evidence of variation in thyroid weight in the male animals fed terephthalylidene dicamphor sulfonic acid, however, there was some doubt as to validity of this observation as the control animals were found to have unusually low thyroid weights. Follow up 21-day studies using the triethalanoamine and sodium salts (not audited) on thyroid metabolism found no treatment related changes at dose rates of 305 mg/kg and 444 mg/kg respectively.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

紫外线过滤剂的潜在人类健康风险取决于它们的毒性和人类全身暴露，这是局部应用物质透过皮肤吸收到人体内的程度的函数。采用“质量平衡”方法，设计了一项研究，以调查在涂抹典型防晒乳液后，[(14)C]-Mexoryl SX((R)) 在人体内的系统吸收剂量。此外，为了评估与体外实验的相关性，在相同的暴露条件下测量了这种UVA过滤剂通过孤立的人体皮肤的经皮吸收。当在体内应用4小时时，从清洗掉的样本中回收了89-94%的应用放射性。在尿液样本中，放射性略微超过了背景水平，最大相当于局部应用剂量的0.014%。在应用后长达120小时内的血液或粪便样本中未测量到放射性。在体外，4小时应用后24小时，[(14)C]-Mexoryl SX主要留在皮肤表面。24小时内体外吸收的平均值，加上在真皮和受体液体中发现的量，为应用剂量的0.16%。根据体内药代动力学结果，得出结论，[(14)C]-Mexoryl SX的系统吸收剂量小于0.1%。这个值的数量级与相应的体外数据很好地相关，后者高估了体内结果，正如以前观察到的其他亲水性化合物一样。这项研究表明，在现实暴露条件下，人体对这种UVA过滤剂的全身暴露是可以忽略的，对人类健康没有风险。

The potential human health risk of UV filters depends on their toxicity and the human systemic exposure which is a function of the extent of percutaneous absorption of the topically applied substance into the human organism. Using a 'mass balance' approach, a study was designed to investigate the systemically absorbed dose of [(14)C]-Mexoryl SX((R)) in humans after topical application of a typical sunscreen emulsion. In addition, to assess the correlation with in vitro experiments, the percutaneous absorption of this UVA filter through isolated human skin was measured under identical exposure conditions. When applied in vivo for a period of 4 hr, 89-94% of the applied radioactivity was recovered from the wash-off samples. In urine samples, the radioactivity slightly exceeded background levels and corresponded maximally to 0.014% of the topically applied dose. No radioactivity was measured in blood or feces sampled up to 120 hr after application. In vitro, 24 hr after a 4-hour application, [(14)C]-Mexoryl SX remained primarily on the skin surface. The mean in vitro absorption over 24 hr, adding up the amounts found in the dermis and receptor fluid, was 0.16% of the applied dose. It is concluded from the in vivo pharmacokinetic results that the systemically absorbed dose of [(14)C]-Mexoryl SX is less than 0.1%. The order of magnitude of this value correlates well with the corresponding in vitro data which overestimate the in vivo results as previously observed with other hydrophilic compounds. This study demonstrates that, under realistic exposure conditions, the human systemic exposure to this UVA filter is negligible and poses no risk to human health.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在人体内使用放射性对苯二甲酸二辛酯磺酸((14)C位置未指定)的活体方法显示，在暴露于0.16%施用剂量的4小时后，吸收可测定长达24小时。

An in vivo method in humans using radioactive terephthalylidene dicamphor sulfonic acid ((14)C site not specified) showed an absorption determined up to 24 hours after a 4-hours exposure to 0.16% of the applied dose.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R41
• WGK Germany：
  1
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338+P310
• 危险品运输编号：
  3261
• 危险性描述：
  H318

制备方法与用途

化学性质

依莰舒为白色或略带淡黄色粉末，易溶于水。其吸收光谱范围在290-390nm之间，在345nm时达到峰值吸收。

用途

依莰舒是一种水溶性化学防晒剂，能提供更佳的肤感体验，并且是目前过滤UVA最有效的成分之一，还能吸收部分UVB紫外线。

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS
  申请人：MASSACHUSETTS GEN HOSPITAL

  公开号：WO2019199979A1

  公开（公告）日：2019-10-17

  The present application provides compounds of formula: Methods of using these compounds for killing bacterial growth and treating bacterial infections are also provided.

  本申请提供了以下化合物的公式：还提供了使用这些化合物杀灭细菌生长和治疗细菌感染的方法。
• [EN] ENCAPSULATES<br/>[FR] PRODUITS ENCAPSULÉS
  申请人：PROCTER & GAMBLE

  公开号：WO2013022949A1

  公开（公告）日：2013-02-14

  The present application relates to encapsulates, compositions, products comprising such encapsulates, and processes for making and using such encapsulates. Such encapsulates comprise a core comprising a perfume and a shell that encapsulates said core, such encapsulates may optionally comprise a parametric balancing agent, such shell comprising one or more azobenzene moieties.

  本申请涉及封装体、组合物、包含这种封装体的产品，以及制备和使用这种封装体的方法。这种封装体包括一个包含香水的核心和封装该核心的壳，这种封装体可以选择性地包含一个参数平衡剂，该壳包括一个或多个偶氮苯基团。
• PHOTOPROTECTIVE COMPOSITIONS COMPRISING PHOTOSENSITIVE 1,3,5-TRIAZINE COMPOUNDS, DIBENZOYLMETHANE COMPOUNDS AND SILICEOUS S-TRIAZINES SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS
  申请人：L'OREAL

  公开号：US20170135933A1

  公开（公告）日：2017-05-18

  UV-photoprotective, topically applicable cosmetic/dermatological compositions contain: (a) at least one dibenzoylmethane compound, (b) at least one 1,3,5-triazine compound that is photosensitive in the presence of a dibenzoylmethane compound, and (c) at least one siliceous s-triazine compound substituted with two aminobenzoate or aminobenzamide groups, or a tautomeric form thereof, the 1,3,5-triazine compounds being improvedly photostable in such compositions.

  UV-光保护，可局部应用的化妆品/皮肤科组合物包含： (a) 至少一种二苯甲酮化合物， (b) 至少一种1,3,5-三嗪化合物，在二苯甲酮化合物存在时对光敏感，以及 (c) 至少一种含有两个氨基苯甲酸酯或氨基苯酰胺基团的硅质s-三嗪化合物，或其互变异构体，这些1,3,5-三嗪化合物在这种组合物中具有改进的光稳定性。
• Flavonoid derivative
  申请人：Buchholz Herwig

  公开号：US20070134172A1

  公开（公告）日：2007-06-14

  The invention relates to a novel flavonoid derivative, to an extract comprising the flavonoid derivative, to the cosmetic and pharmaceutical use thereof, to preparations comprising the flavonoid derivative or extract, and to a process for the preparation of the flavonoid derivative or extract.

  这项发明涉及一种新型黄酮衍生物，一种包含该黄酮衍生物的提取物，以及其在化妆品和药用方面的使用，包括含有该黄酮衍生物或提取物的制剂，以及一种制备该黄酮衍生物或提取物的方法。
• Use of Mineral/Organic Composite Material in the Form of an Ultraviolet Radiation Protective Agent
  申请人：Daniele Stephane

  公开号：US20090104135A1

  公开（公告）日：2009-04-23

  The invention relates to the use of composite material which comprises nanoparticles of a least one metal derivative and at least one organic sunscreen agent which is chemically bound with said particles in a covalent manner in the form of an ultraviolet radiation protective agent containing the inventive composite material. Cosmetic ultraviolet radiation protective compositions comprises said mixture are also disclosed.

  该发明涉及使用复合材料，该复合材料包括至少一种金属衍生物的纳米颗粒和至少一种有机防晒剂，该有机防晒剂以共价方式与所述颗粒化学结合，形成一种含有所述创新复合材料的紫外辐射防护剂。还公开了包含所述混合物的化妆品紫外辐射防护组合物。