4-hydroxy-3,3-dimethyl-2-p-toluidino-butyronitrile | 131762-47-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-hydroxy-3,3-dimethyl-2-p-toluidino-butyronitrile
• 英文别名: 4-hydroxy-3,3-dimethyl-2-p-toluidino-butyronitrile；4-Hydroxy-3,3-dimethyl-2-p-toluidino-butyronitril
• CAS: 131762-47-5
• 化学式: C₁₃H₁₈N₂O
• 分子量: 218.299
• InChiKey: DNGJHFUXDWPXJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  56.05
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2,2-二甲基-3-羟基丙醛 、 氢氰酸 、 乙烷,三氯氟- 生成 4-hydroxy-3,3-dimethyl-2-p-toluidino-butyronitrile
  参考文献：
  名称：

  Barnacle hypersensitivity

  摘要：

  Background: the aim of the present study is to investigate the responsible mechanism of different adverse reactions suffered by five patients, aged between six and thirty years-old, after consumption of barnacle. The symptoms were angioedema, dyspnea, generalized urticaria, conjunctivitis and one of them suffered from anaphylactic reaction. Four patients had personal atopic history. Methods: the allergic study included prick by prick test with raw and boiled barnacle and prick-test with a standardized battery of shellfish and neumoallergens, specific-IgE determination to barnacle, crustacean and house-dust-mite and SDS-PAGE immunoblotting to barnacle. Even though an oral challenge was proposed to three of the patients, they were reluctant to do the test and eventually the challenges were not carried out. Results: prick to prick tests were positive to barnacle for all of them. Specific-IgE was found in four patients. The western blotting results showed an IgE-binding band whose apparent molecular mass ranged between 58 and 68 kDa. Conclusions: barnacle could induce IgE-mediated adverse reaction. Our study has demonstrated the presence of an IgE-binding protein in barnacle extracts ranged between 58 and 68 kDa of molecular mass. It has not been previously described a crustacean allergen with the same molecular mass, so it could be a specific allergen from barnacle. We believe that further study will confirm this is the case.

  DOI：

  10.1016/s0301-0546(02)79098-8