3-(3.4-Bis-trifluoromethanesulfonyloxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester | 217975-69-4

• 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: 3-(3.4-Bis-trifluoromethanesulfonyloxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester
• 英文别名: 3-(3,4-Bis-trifluoromethanesulfonyloxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester；methyl 3-[3,4-bis(trifluoromethylsulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 217975-69-4
• 化学式: C₁₇H₁₉F₆NO₁₀S₂
• 分子量: 575.461
• InChiKey: BUFJFWWPONUGQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  168
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  氰化锌 、 3-(3.4-Bis-trifluoromethanesulfonyloxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester 在 1,1'-双(二苯基膦)二茂铁 、 tris(dibenzylideneacetone)dipalladium (0) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到2-tert-Butoxycarbonylamino-3-(3,4-dicyano-phenyl)-propionic acid methyl ester
  参考文献：
  名称：

  An Easy Route from Catechols to Phthalonitriles

  摘要：

  DOI：

  10.1055/s-1998-1914
• 作为产物：
  描述：

  (+/-)-3-(3,4-dihydroxyphenyl)-2-methyl-DL-alanine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-(3.4-Bis-trifluoromethanesulfonyloxy-phenyl)-2-tert-butoxycarbonylamino-propionic acid methyl ester
  参考文献：
  名称：

  Synthesis of Novel Functionalised Zinc Phthalocyanines Applicable in Photodynamic Therapy

  摘要：

  DOI：

  10.1002/(sici)1099-0690(199912)1999:12<3441::aid-ejoc3441>3.0.co;2-y

文献信息

• Bicyclic signal transduction inhibitors, compositions containing them & uses thereof
  申请人：——

  公开号：US20020062031A1

  公开（公告）日：2002-05-23

  This invention concerns compounds for inhibiting intracellular signal transduction, especially intracellular signal transduction mediated by one or more molecular interactions involving a phosphotyrosine-containing protein. This invention also relates to pharmaceutical compositions containing the compounds and prophylactic and therapeutic methods involving pharmaceutical and veterinary administration of the compounds. The compounds are of the formula 1 as defined herein.

  本发明涉及用于抑制细胞内信号转导的化合物，特别是介导涉及含有磷酸酪氨酸蛋白质的一个或多个分子相互作用的细胞内信号转导。本发明还涉及含有这些化合物的药物组合物以及涉及药物和兽医管理这些化合物的预防和治疗方法。这些化合物的公式1如本文所定义。
• [EN] BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF<br/>[FR] INHIBITEURS DE TRANSDUCTION DE SIGNAUX BICYCLIQUES, COMPOSITIONS LES CONTENANT ET UTILISATION DE CES DERNIERES
  申请人：ARIAD PHARMA INC

  公开号：WO2000027802A1

  公开（公告）日：2000-05-18

  This invention concerns compounds for inhibiting intracellular signal transduction, especially intracellular signal transduction mediated by one or more molecular interactions involving a phosphotyrosine-containing protein. This invention also relates to pharmaceutical compositions containing the compounds and prophylactic and therapeutic methods involving pharmaceutical and veterinary administration of the compounds. The compounds are of the formula (I) as defined herein.

  本发明涉及用于抑制细胞内信号转导的化合物，特别是涉及一种或多种分子相互作用介导的含有磷酸酪氨酸蛋白质的细胞内信号转导。本发明还涉及含有该化合物的药物组合物以及涉及药物和兽医管理该化合物的预防和治疗方法。该化合物的公式(I)如本文所定义。
• BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF
  申请人：——

  公开号：US20020137941A1

  公开（公告）日：2002-09-26

  This invention concerns compounds for inhibiting intracellular signal transduction, especially intracellular signal transduction mediated by one or more molecular interactions involving a phosphotyrosine-containing protein. This invention also relates to pharmaceutical compositions containing the compounds and prophylactic and therapeutic methods involving pharmaceutical and veterinary administration of the compounds. The compounds are of the formula 1 as defined herein.

  本发明涉及用于抑制细胞内信号转导的化合物，特别是介导涉及磷酸酪氨酸含有蛋白质的一个或多个分子相互作用的细胞内信号转导。本发明还涉及含有该化合物的药物组合物以及使用该化合物进行药物和兽医治疗的预防和治疗方法。该化合物的公式1如定义所述。
• Signal transduction inhibitors, compositions containing them
  申请人：Ariad Pharmaceuticals, Inc.

  公开号：US06576766B1

  公开（公告）日：2003-06-10

  This invention concerns compounds for inhibiting intracellular signal transduction, especially intracellular signal transduction mediate by one or more molecular interactions involving a phosphotyrosine-containing protein. This invention also relates to pharmaceutic compositions containing the compounds and prophylactic and therapeutic methods involving pharmaceutical and veterinary administration of the compounds. The compounds are of formula (1) as defined herein.

  本发明涉及用于抑制细胞内信号转导的化合物，特别是介导一个或多个涉及含有磷酸酪氨酸蛋白质的分子相互作用的细胞内信号转导。本发明还涉及含有这些化合物的制药组合物，以及涉及这些化合物的预防和治疗方法，包括制药和兽医管理这些化合物。这些化合物的化学式如所定义的式(1)。
• BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITION CONTAINING THEM AND USES THEREOF
  申请人：ARIAD PHARMACEUTICALS, INC.

  公开号：EP1129068A1

  公开（公告）日：2001-09-05