2-tert-butoxycarbonylamino-3-(4-hydroxy-3-iodo-phenyl)-propionic acid

• 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: 2-tert-butoxycarbonylamino-3-(4-hydroxy-3-iodo-phenyl)-propionic acid
• 英文别名: 2-[(Tert-butoxycarbonyl)amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid；3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• 化学式: C₁₄H₁₈INO₅
• 分子量: 407.205
• InChiKey: VQTPRGZNDPHKOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-三氟乙酰基炔丙基胺 、 2-tert-butoxycarbonylamino-3-(4-hydroxy-3-iodo-phenyl)-propionic acid 在 四(三苯基膦)钯 copper(l) iodide 作用下， 生成
  参考文献：
  名称：

  Synthesis of Novel Tyrosinyl FRET Cassettes, Terminators, and Their Potential Use in DNA Sequencing

  摘要：

  Fluorescence resonance energy transfer (FRET) dye labeled cassettes and terminators with one or more donor dyes (fluorescein) and acceptor dye (rhodamine dyes) with benzofuran or tyrosine linker moieties were synthesized. These terminators were evaluated for their energy transfer and DNA sequencing potential using thermostable DNA polymerase.

  DOI：

  10.1081/ncn-120023006
• 作为产物：
  描述：

  mono-iodo-tyrosine 、 二碳酸二叔丁酯 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-tert-butoxycarbonylamino-3-(4-hydroxy-3-iodo-phenyl)-propionic acid
  参考文献：
  名称：

  Preparation of phosphatase inhibitors

  摘要：

  披露了公式I的化合物 1 以及药用可接受的盐和前药，其中A、B、R 1 、R 2 、R 3 、R 4 和R 5 如说明书所述。 这类化合物是酪氨酸磷酸酶抑制剂，可用于治疗或预防2型糖尿病。本发明还涵盖了包含所述化合物的制剂、制备这类化合物的方法以及治疗或预防2型糖尿病的方法。

  公开号：

  US20020040003A1

文献信息

• Viral polymerase inhibitors
  申请人：——

  公开号：US20020065418A1

  公开（公告）日：2002-05-30

  A compound of the formula I: 1 wherein: X is CH or N; Y is O or S; Z is OH, NH 2 , NMeR 3 , NHR 3 ; OR 3 or 5- or 6-membered heterocycle, having 1 to 4 heteroatoms selected from 0, N and S, said heterocycle being optionally substituted with from 1 to 4 substituents; A is N, COR 7 or CR 5 , wherein R 5 is H, halogen, or (C 1-6 ) alkyl and R 7 is H or (C 1-6 alkyl), with the proviso that X and A are not both N; R 6 is H, halogen, (C 1-6 alkyl) or OR 7 , wherein R 7 is H or (C 1-6 alkyl); R 1 is selected from the group consisting of 5- or 6-membered heterocycle having 1 to 4 heteroatoms selected from O, N, and S, phenyl, phenyl(C 1-3 )alkyl, (C 2-6 )alkenyl, phenyl(C 2-6 )alkenyl, (C 3-6 )cycloalkyl, (C 1-6 )alkyl, CF 3 , 9- or 10-membered heterobicycle having 1 to 4 heteroatoms selected from O, N and S, wherein said heterocycle, phenyl, phenyl(C 2-6 )alkenyl and phenyl(C 1-3 )alkyl), alkenyl, cycloalkyl, (C 1-6 )alkyl, and heterobicycle are all optionally substituted with from 1 to 4 substituents R 2 is selected from (C 1-6 )alkyl, (C 3-7 )cycloalkyl, (C 3-7 )cycloalkyl(C 1-3 )alkyl, (C 6-10 )bicycloalkyl, adamantyl, phenyl, and pyridyl, all of which is optionally substituted with from1 to 4 substituents; R 3 is selected from H, (C 1-6 )alkyl, (C 3-6 )cycloalkyl, (C 3 6 )cycloalkyl(C 1-6 )alkyl, (C 6-10 )aryl, (C 6-10 )aryl(C 1-6 )alkyl, (C 2-6 )alkenyl, (C 3-6 )cycloalkyl(C 2-6 )alkenyl, (C 6-10 )aryl(C 2-6 )alkenyl, N{(C 1-6 )alkyl} 2 , NHCOO(C 1-6 )alkyl(C 6-10 )aryl, NHCO(C 6-10 )aryl, (C 1-6 )alkyl-5- or 10-atom heterocycle, having 1 to 4 heteroatoms selected from O, N and S, and 5- or 10-atom heterocycle having 1 to 4 heteroatoms selected from O, N and S; wherein said alkyl, cycloalkyl, aryl, alkenyl and heterocycle are all optionally substituted with from 1 to 4 substituents; n is zero or 1; or a detectable derivative or salt thereof. The compounds of the invention may be used as inhibitors of hepatitis C virus replication. The invention further provides a method for treating or preventing hepatitis C virus infection.

  该化合物的结构式为I:1，其中：X为CH或N；Y为O或S；Z为OH、NH2、NMeR3、NHR3、OR3或含有1至4个异原子（0、N和S）的5-或6-成员杂环，该杂环可选择性地与1至4个取代基取代；A为N、COR7或CR5，其中R5为H、卤素或（C1-6）烷基，R7为H或（C1-6）烷基，但X和A不能同时为N；R6为H、卤素、（C1-6）烷基或OR7，其中R7为H或（C1-6）烷基；R1选自包括含有1至4个异原子（O、N和S）的5-或6-成员杂环、苯基、苯基（C1-3）烷基、（C2-6）烯基、苯基（C2-6）烯基、（C3-6）环烷基、（C1-6）烷基、CF3、含有1至4个异原子（O、N和S）的9-或10-成员杂环的群体，其中该杂环、苯基、苯基（C2-6）烯基和苯基（C1-3）烷基、烯基、环烷基、（C1-6）烷基和杂环均可选择性地与1至4个取代基取代；R2选自（C1-6）烷基、（C3-7）环烷基、（C3-7）环烷基（C1-3）烷基、（C6-10）双环烷基、金刚烷基、苯基和吡啶基，所有这些基均可选择性地与1至4个取代基取代；R3选自H、（C1-6）烷基、（C3-6）环烷基、（C3-6）环烷基（C1-6）烷基、（C6-10）芳基、（C6-10）芳基（C1-6）烷基、（C2-6）烯基、（C3-6）环烷基（C2-6）烯基、（C6-10）芳基（C2-6）烯基、N(C1-6)烷基2、NHCOO(C1-6)烷基（C6-10）芳基、NHCO（C6-10）芳基、（C1-6）烷基-含有1至4个异原子（O、N和S）的5-或10-原子杂环和含有1至4个异原子（O、N和S）的5-或10-原子杂环；其中所述烷基、环烷基、芳基、烯基和杂环均可选择性地与1至4个取代基取代；n为零或1；或其可检测衍生物或盐。该发明的化合物可用作乙型肝炎病毒复制的抑制剂。该发明还提供了一种治疗或预防乙型肝炎病毒感染的方法。
• 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。
• 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