[(4S)-7,7-二甲基-2-羰基二环[2.2.1]庚-1-基]甲磺酸-二乙基-lambda~2~-锡烷(2:1) | 28747-20-8

• 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
• 中文名称: [(4S)-7,7-二甲基-2-羰基二环[2.2.1]庚-1-基]甲磺酸-二乙基-lambda~2~-锡烷(2:1)
• 中文别名: S-(2-羟基乙基)谷胱甘肽
• 英文名称: γ-L-glutamyl-[S-(2-hydroxyethyl)-L-cysteinyl]glycine
• 英文别名: S-(2-Hydroxyethyl)glutathione；(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxyethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• CAS: 28747-20-8
• 化学式: C₁₂H₂₁N₃O₇S
• 分子量: 351.381
• InChiKey: UUZCUSQQEJSIHR-YUMQZZPRSA-N

物化性质

• 熔点：
  >175°C (dec.)
• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  204
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  谷胱甘肽 、 2-溴乙醇 在 四丁基氢氧化铵 作用下， 以 氯仿 为溶剂， 反应 36.0h， 以75%的产率得到[(4S)-7,7-二甲基-2-羰基二环[2.2.1]庚-1-基]甲磺酸-二乙基-lambda~2~-锡烷(2:1)
  参考文献：
  名称：

  Molecular Modeling, Synthesis, and Preliminary Biological Evaluation of Glutathione-S-Transferase Inhibitors as Potential Therapeutic Agents

  摘要：

  Changes in the GSH/GST system have been found to correlate with resistance to anticancer alkylating agents, presumably through accelerated detoxification of these drugs since some GSTs have been shown to catalyze the conjugation of GSH to specific antineoplastic agents. GSH-alkyl derivatives were designed by molecular modeling, synthesized, and tested as inhibitors of human GST-Pi.

  DOI：

  10.1021/jm0504609

文献信息

• CHALLENGE TEST FOR DIAGNOSING SUBTYPE OF AUTISM SPECTRUM DISEASE
  申请人：Stalicla S.A.

  公开号：EP3479845A1

  公开（公告）日：2019-05-08

  The present invention is directed to a method of identifying autism spectrum disorder (ASD) subtype 1 patients, wherein the method comprises: administering an Nrf2-activator to an ASD patient previously diagnosed with ASD or a subject displaying clinical signs of ASD, and identifying the ASD patient as an ASD subtype 1 patient if the patient shows a negative response after administration of the Nrf2-activator. Likewise, the present invention is directed to an Nrf2-activator for use in identifying autism spectrum disorder (ASD) subtype 1 patients, wherein the Nrf2-activator is administered to a subject, wherein the subject is a patient previously diagnosed with ASD or a subject displaying clinical signs of ASD and wherein an ASD subtype 1 patient is identified by a negative response.

  本发明涉及一种鉴别自闭症谱系障碍（ASD）亚型1患者的方法，其中该方法包括：向先前诊断为ASD的ASD患者或显示ASD临床症状的受试者施用Nrf2-激活剂，如果患者在施用Nrf2-激活剂后显示阴性反应，则将该ASD患者鉴别为ASD亚型1患者。同样，本发明涉及一种用于鉴定自闭症谱系障碍（ASD）亚型1患者的Nrf2-激活剂，其中将Nrf2-激活剂施用给受试者，受试者是先前诊断为ASD的患者或显示ASD临床症状的受试者，并且通过阴性反应鉴定ASD亚型1患者。
• Method of identifying ASD phenotype 1 patients
  申请人：Stalicla S.A.

  公开号：US11364311B2

  公开（公告）日：2022-06-21

  The present invention is directed to a method of identifying autism spectrum disorder (ASD) phenotype 1 patients, wherein the method comprises: administering an Nrf2-activator to an ASD patient previously diagnosed with idiopathic ASD or a subject displaying clinical signs of ASD, and identifying the ASD patient as an ASD phenotype 1 patient if the patient shows a negative response after administration of the Nrf2-activator. Likewise, the present invention is directed to a method for classifying autism spectrum disorder (ASD) phenotype 1 patients, the method comprising: administering an Nrf2-activator to a subject, and observing if the subject shows a negative response after administration of the Nrf2-activator, in which the subject is a patient previously diagnosed with idiopathic ASD or a subject displaying clinical signs of ASD and in which the negative response supports classification of the subject as an ASD phenotype 1 patient.

  本发明涉及一种鉴定自闭症谱系障碍（ASD）表型1患者的方法，其中该方法包括：给先前诊断为特发性ASD的ASD患者或显示ASD临床症状的受试者施用Nrf2-激活剂，如果患者在施用Nrf2-激活剂后显示出负反应，则将该ASD患者鉴定为ASD表型1患者。同样，本发明还涉及一种对自闭症谱系障碍（ASD）表型1患者进行分类的方法，该方法包括：给受试者施用Nrf2-激活剂，观察受试者在施用Nrf2-激活剂后是否表现出阴性反应，其中受试者是先前诊断为特发性ASD的患者或表现出ASD临床症状的受试者，阴性反应支持将受试者分类为ASD表型1患者。
• Challenge test for diagnosing subtypes of ASD
  申请人：Stalicla S.A.

  公开号：US11357871B2

  公开（公告）日：2022-06-14

  The present invention is directed to a method for differentiating between ASD phenotype 1, phenotype 2 and other ASD patients, wherein the method comprises: administering an Nrf2-activator to a subject, and identifying the subject as an ASD phenotype 1 patient if the subject shows a negative response, as a phenotype 2 patient if he shows a positive response and as another ASD patient if he does not show a positive nor a negative response, wherein the subject is a patient previously diagnosed with idiopathic ASD or a subject displaying clinical signs of ASD. Likewise, the present invention is directed to an Nrf2-activator for use in differentiating between autism spectrum disorder (ASD) phenotype 1 patients, phenotype 2 patients and other ASD patients, wherein the Nrf2-activator is administered to a subject, wherein a phenotype 1 patient is identified by a negative response, a phenotype 2 patient is identified by a positive response and other ASD patients are identified by the absence of a positive and a negative wherein the subject is a patient previously diagnosed with idiopathic ASD or a subject displaying clinical signs of ASD.

  本发明涉及一种用于区分ASD表型1、表型2和其他ASD患者的方法，其中该方法包括：给受试者施用Nrf2-激活剂，如果受试者表现出阴性反应，则将其鉴定为ASD表型1患者；如果受试者表现出阳性反应，则将其鉴定为表型2患者；如果受试者既未表现出阳性反应也未表现出阴性反应，则将其鉴定为其他ASD患者，其中受试者是先前被诊断为特发性ASD的患者或表现出ASD临床症状的受试者。同样，本发明涉及一种用于区分自闭症谱系障碍（ASD）表型1患者、表型2患者和其他ASD患者的Nrf2-激活剂，其中将Nrf2-激活剂施用于受试者，表型1患者通过阴性反应确定，表型2患者通过阳性反应确定，其他ASD患者通过不显示阳性和阴性反应确定，其中受试者是先前诊断为特发性ASD的患者或显示ASD临床症状的受试者。
• COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME
  申请人：Mars, Incorporated

  公开号：EP3442352A1

  公开（公告）日：2019-02-20
• CHALLENGE TEST FOR DIAGNOSING A SUBTYPE OF AUTISM SPECTRUM DISEASE
  申请人：Stalicla S.A.

  公开号：EP3706806A1

  公开（公告）日：2020-09-16