(5-(4-(3-chlorophenyl)piperazin-1-ylsulfonyl)indolin-1-yl)(4-methoxyphenyl)methanone | 1205554-52-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5-(4-(3-chlorophenyl)piperazin-1-ylsulfonyl)indolin-1-yl)(4-methoxyphenyl)methanone
• 英文别名: [5-[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
• CAS: 1205554-52-4
• 化学式: C₂₆H₂₆ClN₃O₄S
• 分子量: 512.029
• InChiKey: RXNUCVUHASARLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  78.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(4-(3-chlorophenyl)piperazin-1-ylsulfonyl)indoline 、 对甲氧基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到(5-(4-(3-chlorophenyl)piperazin-1-ylsulfonyl)indolin-1-yl)(4-methoxyphenyl)methanone
  参考文献：
  名称：

  [EN] INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD
  [FR] INHIBITEURS DE SHP-2 À SQUELETTE INDOLINE ET PROCÉDÉ DE TRAITEMENT DU CANCER

  摘要：

  公开号：

  WO2010011666A3

文献信息

• INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD
  申请人：Wu Jie

  公开号：US20110190315A1

  公开（公告）日：2011-08-04

  The subject invention concerns methods and compounds for inhibiting Shp2. In one embodiment, a compound of the invention has a chemical structure as shown in formula I or II: wherein X, Y, and Z are independently N or S; R 1 is cycloalkyl, heterocycloalkyl, aryl, or heteroaryl, any of which can be optionally substituted with one or more of halogen; alkyl; heteroalkyl; —COOH; —C(R 3 ) 3 , wherein R 3 can independently be any of —H or halogen; or —OR 4 , wherein R 4 can be any of H, alkyl, or heteroalkyl; R 2 is alkyl, alkylcarbonyl, heteroalkylcarbonyl, aryl, arylcarbonyl, heterocycloalkylcarbonyl, cycloalkylcarbonyl, or —C(O)NR 6 R 7 , any of which can be optionally substituted with one or more of halogen; alkyl; heteroalkyl; carbonyl; —OR 4 , wherein R 4 can be —H, alkyl, or heteroalkyl; —OH; —C(R 3 ) 3 , wherein R 3 can independently be any of —H or halogen; aryl, which can be substituted with one or more of halogen or —OR 4 ; heterocycloalkyl; or —C(O)OR 5 , wherein R 5 can be —H or alkyl; R 6 and R 7 are independently —H, alkyl, heteroalkyl, aryl, or heteroaryl; and R′ is H or alkyl; or a pharmaceutically acceptable salt or hydrate thereof.

  本发明涉及用于抑制Shp2的方法和化合物。在一种实施例中，本发明的化合物具有如公式I或II所示的化学结构：其中X，Y和Z分别是N或S；R1是环烷基，杂环烷基，芳基或杂芳基，其中任何一个可以选择性地被一个或多个卤素；烷基；杂烷基；-COOH；-C（R3）3，其中R3可以独立地是-H或卤素；或-OR4，其中R4可以是H，烷基或杂烷基；R2是烷基，烷基羰基，杂烷基羰基，芳基，芳基羰基，杂环烷基羰基，环烷基羰基或-C（O）NR6R7，其中任何一个可以选择性地被一个或多个卤素；烷基；杂烷基；羰基；-OR4，其中R4可以是-H，烷基或杂烷基；-OH；-C（R3）3，其中R3可以独立地是-H或卤素；芳基，可以被一个或多个卤素或-OR4取代；杂环烷基；或-C（O）OR5，其中R5可以是-H或烷基；R6和R7独立地是-H，烷基，杂烷基，芳基或杂芳基；R'是H或烷基；或其药学上可接受的盐或水合物。
• INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER
  申请人：Wu Jie

  公开号：US20120034186A1

  公开（公告）日：2012-02-09

  Protein tyrosine phosphatase (PTP) Shp2 is a non-receptor PTP that involved in cell signaling and regulation of cell proliferation, differentiation, and migration. Shp2 mediates activation of kinases that are involved in the pathogenesis of human carcinoma. A high throughput screen identified compounds that inhibit the PTP Shp2. Several compounds were identified that selectively inhibit Shp2 over Shp1 with low to sub-micromolar activity. Also disclosed are methods of inhibiting a protein tyrosine phosphatase in a cell and treating cancer through selective inhibition of Shp2.
• US8623906B2
  申请人：——

  公开号：US8623906B2

  公开（公告）日：2014-01-07
• US9174969B2
  申请人：——

  公开号：US9174969B2

  公开（公告）日：2015-11-03
• [EN] INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD<br/>[FR] INHIBITEURS DE SHP-2 À SQUELETTE INDOLINE ET PROCÉDÉ DE TRAITEMENT DU CANCER
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2010011666A3

  公开（公告）日：2010-04-22