N-α-Naphthylacetyl-L-cysteine | 32668-00-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-α-Naphthylacetyl-L-cysteine
• 英文别名: N-(2-(naphthalen-1-yl)-acetyl)-L-cysteine；N-(2-(1-naphthyl)acetyl)-l-cysteine；(2R)-2-[(2-naphthalen-1-ylacetyl)amino]-3-sulfanylpropanoic acid
• CAS: 32668-00-1
• 化学式: C₁₅H₁₅NO₃S
• 分子量: 289.355
• InChiKey: OZEXEWKJUMPFJV-ZDUSSCGKSA-N

物化性质

• 沸点：
  586.0±50.0 °C(Predicted)
• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  67.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  萘-1-基乙酰氯 、 L-胱氨酸 在 sodium hydroxide 、 sodium tetrahydroborate 、 盐酸 作用下， 以 四氢呋喃 、 水 、 乙醇 为溶剂， 反应 1.0h， 以0.26 g的产率得到N-α-Naphthylacetyl-L-cysteine
  参考文献：
  名称：

  A ratiometric luminescent sensing of Ag+ ion via in situ formation of coordination polymers

  摘要：

  将 Ag+ 离子与所设计的荧光硫醇配体 NCys 混合后，在水溶液中就地形成了 Ag(I)-NCys 配位聚合物发光体，从而开发出了 Ag+ 离子的比率测量发光传感技术。

  DOI：

  10.1039/c0cc05519k

文献信息

• SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT
  申请人：FUJIFILM Corporation

  公开号：EP3845887A1

  公开（公告）日：2021-07-07

  An object of the present invention is to provide a method for determining skin allergenicity of a mixture containing two or more test substances, and a reagent for determining the skin allergenicity. The present invention provides a method for determining skin allergenicity, the method including causing a reaction between an organic compound that has at least one thiol group or amino group and emits fluorescence, and a mixture containing two or more test substances, and determining an amount of the organic compound after the reaction or an amount of a product of the reaction by an optical measurement using a fluorescence detector; and a reagent for determining skin allergenicity, the reagent including, as a measurement basis, an organic compound that has at least one thiol group or amino group and emits fluorescence, and being used for determining skin allergenicity of a mixture containing two or more test substances by an optical measurement using a fluorescence detector.

  本发明的目的是提供一种测定含有两种或两种以上测试物质的混合物的皮肤过敏性的方法，以及一种测定皮肤过敏性的试剂。本发明提供了一种确定皮肤过敏性的方法，该方法包括使至少有一个硫醇基团或氨基并发射荧光的有机化合物与含有两种或两种以上测试物质的混合物发生反应，并通过使用荧光检测器进行光学测量来确定反应后有机化合物的量或反应产物的量；和一种用于确定皮肤过敏性的试剂，该试剂包括作为测量基础的有机化合物，该有机化合物具有至少一个硫醇基团或氨基并发射荧光，通过使用荧光检测器进行光学测量，用于确定含有两种或两种以上测试物质的混合物的皮肤过敏性。
• PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD
  申请人：FUJIFILM Corporation

  公开号：EP3901620A1

  公开（公告）日：2021-10-27

  Provided are a method for measuring the phototoxicity or photoallergy of a test substance without using animals and a reagent for use therein. The method for measuring phototoxicity or photoallergy includes reacting a test substance with an organic compound that is an N-(arylalkylcarbonyl)cysteine or an α-N-(arylalkylcarbonyl)lysine under irradiation with ultraviolet light; reacting the test substance with the organic compound without irradiation with ultraviolet light; determining the depletion of the organic compound after each reaction by an optical measurement; and detecting phototoxicity or photoallergy from the difference between the depletion of the organic compound after the reaction under irradiation with ultraviolet light and the depletion of the organic compound after the reaction without irradiation with ultraviolet light.

  本发明提供了一种不使用动物而测量受试物质光毒性或光过敏性的方法以及用于该方法的试剂。这种测量光毒性或光过敏性的方法包括：在紫外线照射下，使受试物质与 N-(芳基烷基羰基)半胱氨酸或 α-N-(芳基烷基羰基)赖氨酸的有机化合物反应；在没有紫外线照射的情况下，使受试物质与有机化合物反应；通过光学测量确定每次反应后有机化合物的损耗量；根据在紫外线照射下反应后有机化合物的损耗量与在未用紫外线照射的情况下反应后有机化合物的损耗量之间的差值检测光毒性或光过敏性。
• METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY
  申请人：FUJIFILM Corporation

  公开号：US20210181109A1

  公开（公告）日：2021-06-17

  An object of the present invention is to provide a method for determining skin allergenicity of a mixture containing two or more test substances, and a reagent for determining the skin allergenicity. The present invention provides a method for determining skin allergenicity, the method including causing a reaction between an organic compound that has at least one thiol group or amino group and emits fluorescence, and a mixture containing two or more test substances, and determining an amount of the organic compound after the reaction or an amount of a product of the reaction by an optical measurement using a fluorescence detector; and a reagent for determining skin allergenicity, the reagent including, as a measurement basis, an organic compound that has at least one thiol group or amino group and emits fluorescence, and being used for determining skin allergenicity of a mixture containing two or more test substances by an optical measurement using a fluorescence detector.
• SKIN SENSITIZATION MEASURING REAGENT, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND
  申请人：FUJIFILM Corporation

  公开号：US20220214276A1

  公开（公告）日：2022-07-07

  An object of the present invention is to provide a skin sensitization measuring reagent, a method for measuring skin sensitization, and a compound that allow the sensitization of a test substance to be measured using a single reagent. According to the present invention, there is provided a skin sensitization measuring reagent including, as a main measuring agent, an organic compound having at least one thiol group derived from an amino acid and at least one amino group derived from a side chain of an amino acid. The organic compound has an absorption spectrum in an ultraviolet, visible, or near-infrared region and has a molar absorption coefficient of 100 L/mol·cm or more and 500,000 L/mol·cm or less at a maximal absorption wavelength.
• [EN] PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD<br/>[FR] PROCÉDÉ DE MESURE DE PHOTOTOXICITÉ OU DE PHOTOALLERGIE ET RÉACTIF DESTINÉ À ÊTRE UTILISÉ DANS LEDIT PROCÉDÉ<br/>[JA] 光毒性または光アレルギーの測定方法および上記測定方法において使用するための試薬
  申请人：FUJIFILM CORP

  公开号：WO2020129509A1

  公开（公告）日：2020-06-25

  動物の使用を含まない、被験物質の光毒性または光アレルギーの測定方法、並びに上記測定方法において使用するための試薬を提供すること。光毒性または光アレルギーの測定方法は、Ｎ－（アリールアルキルカルボニル）システインまたはα－Ｎ－（アリールアルキルカルボニル）リジンである有機化合物と、被験物質とを、紫外線の照射下において反応させること；上記有機化合物と、被験物質とを、紫外線の非照射下において反応させること；反応後の上記有機化合物の減少率を光学的測定により検出すること；および紫外線の照射下における反応後の有機化合物の減少率と、紫外線の非照射下における反応後の有機化合物の減少率との差から光毒性または光アレルギーを検出すること；を含む。