N-乙酰基-4,4'-二氨基二苯基甲烷 | 24367-94-0

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-乙酰基-4,4'-二氨基二苯基甲烷
• 中文别名: N-[4-[(4-氨基苯基)甲基]苯基]乙酰胺
• 英文名称: N¹-[4-(4-Aminobenzyl)phenyl]acetamide
• 英文别名: N-acetyl-4,4'-methylenedianiline；N-Acetyl-4,4'-diaminodiphenylmethane；N-[4-[(4-aminophenyl)methyl]phenyl]acetamide
• CAS: 24367-94-0
• 化学式: C₁₅H₁₆N₂O
• 分子量: 240.305
• InChiKey: SQTDJPRWHARDHF-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于酸性水溶液（轻微）、甲醇（轻微）、水（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N-乙酰基-4,4'-二氨基二苯基甲烷 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以80%的产率得到N-acetyl-4′-amino-4-nitrodiphenylmethane
  参考文献：
  名称：

  Synthesis and Quantification of DNA Adducts of 4,4‘-Methylenedianiline

  摘要：

  4,4'-Methylenedianiline (MDA) is used as a hardener in the manufacture of plastics and polyurethanes. MDA has been classified as a carcinogen in animals and is a suspected human carcinogen. Assuming that MDA would yield similar DNA adducts to other arylamines, we synthesized the following C-8 guanine adducts: N'-acetyl-N-(deoxyguanosin-8-yl)-MDA, N-(deoxyguanosin-8-yl)-MDA, N-(deoxyguanosin-8-yl)-4MA, and their corresponding 3'-monophosphate derivatives. We developed methods to identify these adducts of MDA in liver DNA using P-32-postlabeling, HPLC, and GC-MS techniques. Liver DNA was obtained from rats treated with radiolabeled MDA (1.11 and 116.5 mu mol/kg body weight). The total radioactivity bound to the DNA corresponded to 0.06 and 2.7 adducts per 10(7) nucleotides [covalent binding index (CBI=(mu mol of adduct per mol of nucleotide)/(mmol of compound per kg body weight)) of 1.05 and 2.3]. This DNA-binding potency is in the range of weakly genotoxic compounds. The liver DNA was analyzed for the presence of the synthesized adducts by the following methods: (I) HPLC analysis of nucleotides and purines after enzymatic and acid hydrolysis, and (II) P-32-postlabeling after enzymatic hydrolysis. The major adducts found in vivo did not correspond to the synthesized standards. Further work was carried out to determine the structure of the unidentified adducts. It was possible to release MDA and MDA-d(4) from DNA of rats dosed with MDA and/or MDA-d(4) and from the synthesized adducts using strong base hydrolysis. Liver of two female Wistar rats given 500 mu mol/kg MDA . 2HCl was hydrolyzed in 0.1 M NaOH overnight at 110 degrees C. GC-MS analysis of the heptafluorobutyric anhydride derivatized dichloromethane extracts detected 428+/-40 fmol of MDA/mg of DNA. In the control animals no MDA was found. The experiment was repeated with livers from animals dosed 500 mu mol/kg MDA-d(4) . 2HCl. In these rats 488+/-19 fmol MDA-d(4) was found to be bound at liver DNA. Taking into account a 68% yield of the method, the CBI found in these cases was 0.82 and 1.0, respectively.

  DOI：

  10.1021/tx950194+
• 作为产物：
  描述：

  N-acetyl-S-[[4-(4-acetylaminobenzyl)phenyl]carbamoyl]-cysteine 以 aq. phosphate buffer 为溶剂， 反应 26.0h， 生成 N-乙酰基-4,4'-二氨基二苯基甲烷 、 N-[4-({4-[({4-[4-acetamidobenzyl]phenyl}carbamoyl)-amino]phenyl}methyl)phenyl]acetamide
  参考文献：
  名称：

  合成方法获得4,4'-亚甲基二苯基二异氰酸酯的氨基酸加合物

  摘要：

  4,4'-亚甲基二苯基二异氰酸酯（MDI）是化学工业中最重要的异氰酸酯。暴露于MDI后，肺部过敏和哮喘是主要的损害类型。MDI的白蛋白加合物可能与致敏反应的病因有关。因此，必须有敏感的和特定的生物标记物，例如血液蛋白加合物，以监测暴露于异氰酸酯的人。为了发现体内存在的血液蛋白与新的异氰酸酯加合物，需要新的合成标准品。为此，我们开发了五种方法来获得MDI的氨基酸加合物。我们合成并分离了天冬氨酸，谷氨酸，半胱氨酸和缬氨酸的MDI加合物。新的加合物通过LC-MS / MS和NMR进行表征。我们合成了相应的同位素标记的MDI加合物，以开发使用LC-MS / MS的分析方法。异氰酸酯的谷胱甘肽加合物是将反应性异氰酸酯转移到远离原始暴露部位的较远部位的一种重要方式。因此，我们使用了MDI的N-乙酰基-半胱氨酸加成物：N-乙酰基-S [[[4-（4-氨基苄基）苯基]氨基甲酰基]-半胱氨酸（MDI-AcCys）和N-乙酰基-S

  DOI：

  10.1021/tx300347e

文献信息

• Isocyanate-Specific Hemoglobin Adduct in Rats Exposed to 4,4‘-Methylenediphenyl Diisocyanate
  作者：Gabriele Sabbioni、Renate Hartley、Dietrich Henschler、Andreas Höllrigl-Rosta、Robert Koeber、Siegfried Schneider

  DOI：10.1021/tx990096e

  日期：2000.2.1

  4'-methylenedianiline (MDA). This work presents a procedure for quantitating isocyanate-specific hemoglobin adducts. Blood proteins are used as markers of exposure and possibly as markers of dose size for the modifications of macromolecules in the target organs where the disease develops. For the quantitation of hemoglobin adducts, N(1)-[4-(4-isocyanatobenzyl)phenyl]acetamide (AcMDI) was reacted with the

  4,4'-亚甲基二苯基二异氰酸酯（MDI）是用作化学工业中间体的最重要的异氰酸酯。暴露于低水平的MDI后引起的主要损害类型是肺致敏和哮喘。MDI的蛋白质加合物可能与致敏反应的病因有关。因此，有必要采用敏感而具体的方法来监测工人的异氰酸酯暴露量。迄今为止，尿代谢产物或蛋白质加合物已被用作暴露于MDI的工人的生物标志物。但是，使用这些方法无法确定生物标记物是由于暴露于MDI还是母体芳族胺4,4'-亚甲基二苯胺（MDA）而产生的。这项工作提出了定量异氰酸酯特异性血红蛋白加合物的程序。血液蛋白被用作暴露的标志物，并可能被用作疾病发展目标器官中大分子修饰的剂量大小标志物。为了定量血红蛋白加合物，使N（1）-[4-（4-异氰酸根合苄基）苯基]乙酰胺（AcMDI）与三肽戊基-甘氨酰-甘氨酸和缬氨酸反应生成N- [4-（4-乙酰氨基苄基）苯基]氨基甲酰基]戊基-甘氨酰-甘氨酸和N- [4- [4-（乙酰氨
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  本发明提供了一种用于室外安装的模塑体，该模塑体是通过模塑一种聚碳酸酯基树脂组合物而获得的，该树脂组合物包括以下混合物：100质量份的聚碳酸酯基树脂（A），其中包括 30-100质量份的聚碳酸酯-聚有机硅氧烷共聚物（A-1），该共聚物具有在其主链中包含通式（I）所代表的重复单元的聚碳酸酯嵌段、和含有通式(II)代表的硅氧烷重复结构且平均重复次数为 30 至 500 的聚有机硅氧烷嵌段，以及除聚碳酸酯-聚有机硅氧烷共聚物(A-1)之外的 70 质量％至 0 质量％的芳香族聚碳酸酯树脂(A-2)；和 0.001质量份至1质量份的紫外线吸收剂(B)，其中聚碳酸酯基树脂(A)中聚有机硅氧烷嵌段的含量x为2.0质量％至15.0质量％，且平均重复次数n与聚有机硅氧烷嵌段的含量x的乘积nx为200或以上。
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