Disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
• 化学式: C28H20N2Na2O8S2
• 分子量: 622.6
• InChiKey: FPAYXBWMYIMERV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.62
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  189
• 氢给体数：
  2
• 氢受体数：
  10

ADMET

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中和。如果患者停止呼吸，请开始人工呼吸，最好使用需求阀复苏器、球囊阀面罩设备或口袋面罩，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。如果患者呕吐，让患者向前倾或将其置于左侧（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)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的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受体激动剂，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D5W /SRP: "保持开放"，最低流速/。如果出现低血容量的迹象，使用0.9%盐水（NS）或乳酸钠林格氏液。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……。用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。 /Poisons A and 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 /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's 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 or lorazepam ... . 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：急性暴露/研究了酸绿25对眼睛刺激性和着色性能的影响。将0.2毫升10%的水溶液反复涂抹在每组6只或更多白化兔的一只眼睛的结膜囊上，持续4周（每周5天，每天两次；总共40次应用）。每次应用后1小时，根据Draize评分系统对眼睛进行刺激评分，并检查是否有着色迹象。此外，在第二天第一次应用前也会进行评分。在描述的测试条件下，10%酸绿25水溶液会在一些动物的眼眶组织中引起轻微或斑驳的色素沉着。应用后1小时（第5天的数据）确定了平均刺激评分为2，表明应用后立即存在轻度刺激性效果。应用10%溶液24小时后，在整个研究期间的所有评分中都没有发现眼睛刺激的迹象。在对照组的表皮诱导期间没有观察到皮肤刺激。由于酸绿25在1%CMC中以50%的浓度表皮应用会导致皮肤变黑，因此无法评估红斑形成。然而，没有观察到水肿形成。由于在移除挑战贴片后也观察到了黑色色素沉着，因此在挑战读数前3小时进行了脱毛。在对照组和实验组都没有观察到皮肤反应。没有观察到与测试物质相关的毒性临床体征。在最大测试条件下，酸绿25没有显示出皮肤致敏作用，该测试条件下皮肤屏障受到损害。

/LABORATORY ANIMALS: Acute Exposure/ Acid Green 25 was investigated with regard to its eye irritation and staining properties. 0.2 mL of a 10 % aqueous solution was repeatedly applied to the conjunctival sac of one eye of each of the 6 or more albino rabbits per group for 4 weeks (twice daily on five days per week; 40 applications in total). One hour after each application, the eyes were scored for irritation according to the Draize system and for evidence of staining. In addition, scoring took also place the next day just prior to the first application of that day. A 10 % aqueous solution of Acid Green 25 did cause a slight or spotty discoloration in the orbital tissue of some animals under the described test conditions. One hour after the application (figures are given for day 5) a mean irritation score of 2 was determined, indicating that immediately after application mild irritant effects were present. 24 hours after the applications of the 10 % solution no indications for eye irritation were noted at any scoring throughout the entire study period. No dermal irritation was observed during the epidermal induction in the control group. As Acid Green 25 epidermally applied at 50 % in 1 % CMC causes black staining of the skin, erythema formation could not be evaluated. However, no edema formation was noted. Since a black discoloration was also observed after removal of the challenge patch, depilation was performed 3 hours prior to challenge reading. Skin reactions were observed neither in the control nor in the test group. No test substance-related clinical signs of toxicity were observed. Acid Green 25 had no skin sensitizing effect under the conditions of the Maximization test, in which the skin barrier is compromised.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：亚慢性或前慢性暴露/ 酸性绿25溶解在含有1%羧甲基纤维素的二次蒸馏水中，每天通过灌胃给予10只雄性和10只雌性Wistar HanIbm WIST（SPF）大鼠，总剂量为10 mL/kg体重，剂量为100、300、1000 mg/kg体重/天，连续13周。此外，一个同等大小的对照组接受了相同剂量的载体。测试溶液的均匀性和稳定性进行了评估。每天检查两次死亡率，每天记录一次临床体征。详细临床观察、个体体重和食物消耗每周记录一次。在所有动物治疗前和治疗13周时仅对对照组和高剂量组进行了眼科检查。在治疗13周期间，对功能观察电池（改良Irwin筛选测试）的相关参数以及握力和运动活动进行了评估。在治疗期末进行了临床实验室检查（血液学、血液/临床生物化学和尿液分析）。所有动物都接受了详细的尸检，并对一些器官（肾上腺、大脑、心脏、肾脏、肝脏、卵巢、睾丸、脾脏、甲状腺和胸腺）进行了称重，并固定和储存了一些组织和器官，以备进一步检查。在处理动物中没有发现与物质相关的死亡和显著的临床体征。在所有处理组中，面部和胃肠道的变色被注意到。在每周进行的临床观察中没有发现与测试项目相关的发现。在13周的功能观察电池以及握力和运动活动测量中没有发现与测试项目相关的影响。在研究期间，没有注意到体重、体重发展和食物消耗的影响。在尸检时，仅注意到对肾脏器官重量的影响。在300和1000 mg/kg体重/天时，两性的绝对和/或相对肾脏重量增加，在300 mg/kg体重/天时更为明显。肾脏/大脑比例也显示出在这两个剂量或仅在300 mg/kg体重/天时统计学上显著增加。对个体数据的详细分析没有发现明确的剂量反应，并且只对一个参数（绝对重量增加，相对不增加等）看到了影响。此外，与对照组相比，所有处理组中雌性大脑重量（绝对和相对）略有下降，没有显示出剂量-反应关系。在最高剂量水平下，发现了一些血液学参数的变化。尿液分析显示，高剂量组雄性的尿量显著增加。在组织学检查或关于肾脏生理学标志物的异常方面没有发现异常。

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Acid Green 25 dissolved in bi-distilled water containing 1% CMC was administered daily to groups of 10 males and 10 female Wistar HanIbm WIST(SPF) rats by gavage in a total volume of 10 mL/kg bw 100, 300, 1000 mg/kg bw/day over a period of 13 consecutive weeks. In addition, an equally sized control group received the same dose volume of the vehicle. Homogeneity and the stability of the test solutions were evaluated. Mortality was checked twice daily, clinical signs were recorded once daily. Detailed clinical observations, individual body weights and food consumption were recorded weekly. An ophthalmological examination was performed in all animals before treatment and at week 13 for the control and high dose group only. During week 13 relevant parameters of a functional observational battery (modified Irwin screen test) were evaluated as well as grip strength and locomotor activity. Clinical laboratory investigations (hematology, blood/clinical biochemistry and urinalysis) were performed at the end of the treatment period. All animals were subjected to a detailed necropsy and a number of organs (adrenals, brain, heart, kidneys, liver, ovaries, testes, spleen, thyroid and thymus) were weighed and several tissues and organs were fixed and stored for further examinations if required. No substance-related mortalities and significant clinical signs were noted in the treated animals. Discoloration of faces and gastrointestinal tract was noted in all treated groups. No test item related findings were noted in the weekly performed clinical observations. The functional observational battery as well as grip strength and locomotor activity measurements in week 13 did not reveal test item related effects. No effects were noted with regard to body weight, body weight development and food consumption during the study period. At necropsy, effects on organ weights were noted for kidney only. The absolute and/or the relative kidney weight increased for both sexes at 300 and 1000 mg/kg bw/day, being more pronounced at 300 mg/kg bw/day. The kidney/brain ratio also revealed statistically significant increases at both doses or at 300 mg/kg bw/day only. A detailed analysis of the individual data revealed no clear dose response and that effects were seen for one parameter only (absolute weight increased, relative not, etc.) Furthermore, the brain weights (absolute and relative) in females were slightly decreased compared to control controls for all treated groups, without revealing a dose-response relationship. Some changes in hematology parameters were found at the highest dose level. Urinalysis revealed a significant increase in urine volume in males of the high dose group. No abnormalities were noted in the histological investigation or with regard to markers of kidney physiology.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  Disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate 、 媒染棕18 、 disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate 、 Sodium 4-(((3-chloro-1,2,4-benzotriazin-7-yl)carbonyl)amino)-2-((1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonate N4-oxide 、 Sodium 3-[[4-[(4-ethoxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate 在 cobalt(2+);(2E)-2-[(2-oxido-5-sulfamoylphenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate 作用下， 以Acid Orange 156 (K-value=2.5) and 0.4 parts of dyestuff C.I. Acid Blue 40 (K-value=2), similar good results的产率得到Acid orange 156
  参考文献：
  名称：

  Alkoxylated fatty amines and polyamines as reserving agents

  摘要：

  本发明提供了一种用于染色阴离子染料可染底物的预留和/或多彩效果的过程，该过程包括（1）将含有K'-值≥5的阴离子染料的染料浸润底物，（2）直接在底物上局部涂抹含有亲和阴离子染料的烷氧基化脂肪胺或聚胺的液体或糊状物，其K'值≥5，可选地包含分散染料和/或阴离子染料或阴离子光亮剂，但前提是阴离子染料或光亮剂的K值至少比步骤（1）中使用的阴离子染料的K'值低一个单位，（3）随后将底物进行热处理以使染料和（如使用）光亮剂固定。

  公开号：

  US04285691A1

文献信息

• Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same
  申请人：——

  公开号：US20030041392A1

  公开（公告）日：2003-03-06

  A process is described for making 1,4-diamino-2-methoxymethylbenzene of formula (I), or a physiologically compatible salt of 1,4-diamino-2-methoxy-methylbenzene, of formula (I): 1 wherein n is a number from 0 to 2 and HX represents an inorganic or organic acid. The process includes reacting 2-methoxymethyl-4-nitrophenol with a halogenacetamide to form 2-(2-methoxymethyl-4-nitrophenoxy)acetamide; rearranging the 2-(2-methoxymethyl-4-nitrophenoxy)acetamide to form 2-methoxymethyl-4-nitroaniline and then catalytically hydrogenating the 2-methoxymethyl-4-nitroaniline and, when n=1 or 2, subsequently reacting with the inorganic or organic acid, to form the 1,4-diamino-2-methoxymethylbenzene of formula (I), or the salt if n=1 or 2. Compositions and methods of dyeing hair containing the 1,4-diamino-2-methoxymethylbenzene or its salt are also described.

  描述了一种制备1,4-二氨基-2-甲氧甲基苯的过程，或者制备1,4-二氨基-2-甲氧甲基苯的生理兼容盐的过程，其中n是从0到2的数字，HX代表无机或有机酸。该过程包括将2-甲氧甲基-4-硝基苯酚与卤代乙酰胺反应，形成2-(2-甲氧甲基-4-硝基苯氧基)乙酰胺；将2-(2-甲氧甲基-4-硝基苯氧基)乙酰胺重排，形成2-甲氧甲基-4-硝基苯胺，然后催化氢化2-甲氧甲基-4-硝基苯胺，并且当n=1或2时，随后与无机或有机酸反应，形成1,4-二氨基-2-甲氧甲基苯的化学式(I)，或者如果n=1或2，则形成盐。还描述了含有1,4-二氨基-2-甲氧甲基苯或其盐的染发剂的组合物和染发方法。
• Use of cationic azacyanine dyes for coloring keratin fibers
  申请人：Javet Manuela

  公开号：US20070022545A1

  公开（公告）日：2007-02-01

  The present invention relates to the use of cationic azacyanine dyes of the formula (Ia) or (Ib) for coloring keratin fibers, and to a method of coloring hair with various degrees of damage.

  本发明涉及使用带正电的氮杂菁染料的化学式(Ia)或(Ib)来染色角蛋白纤维，以及使用各种程度受损的头发染色的方法。
• (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers
  申请人：Goettel Otto

  公开号：US20070180629A1

  公开（公告）日：2007-08-09

  The object of the present invention are (3,5-diaminophenyl)(2,4-dihydroxyphenyl)metha-none and the acid adducts thereof of formula (I), with 0≦n≧2 and HX denoting an inor-ganic or organic acid, the colorant containing these compounds and a method for producing the compounds of formula (I).

  本发明的对象是公式（I）中的（3,5-二氨基苯基）（2,4-二羟基苯基）甲酮及其酸加合物，其中0≦n≧2，HX表示无机或有机酸，所述颜料含有这些化合物，并且本发明还提供了一种制备公式（I）化合物的方法。
• Colorants comprising cationic azacyanine dyes
  申请人：Javet Manuela

  公开号：US20070000071A1

  公开（公告）日：2007-01-04

  The present invention relates to agents comprising cationic azacyanine dyes of the formula (I) for coloring keratin fibers, such as, for example, wool, silk or furs and in particular human hair (where X1 is N—R1, O or S and X2 is N—R2, O or S), and to a method of coloring hair with varying degrees of damage.

  本发明涉及含有阳离子性氮杂花青染料的剂，其化学式为(I)，用于染色角蛋白纤维，例如羊毛、丝绸或毛皮，特别是人类头发（其中X1是N-R1、O或S，而X2是N-R2、O或S），以及用于染色具有不同损伤程度的头发的方法。
• Leave-in color conditioner
  申请人：Pollack George

  公开号：US20050198746A1

  公开（公告）日：2005-09-15

  The invention is directed to novel hair dye compositions, novel leave-in conditioners, and novel leave-in conditioners with a hair coloring effect. Hair dye compositions, leave-in conditioners, and leave-in conditioners with hair coloring effect may include a styrene/vinylpyrrolidone copolymer emulsion.

  本发明涉及新型染发剂组合物、新型留香护发素以及具有染发效果的新型留香护发素。染发剂组合物、留香护发素和具有染发效果的留香护发素可能包括苯乙烯/吡咯烷酮共聚物乳液。