ethyl 3-(5-(4-(3-chlorophenyl)piperazin-1-ylsulfonyl)indoline-1-carboxamido)benzoate | 1205555-09-4

• 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: ethyl 3-(5-(4-(3-chlorophenyl)piperazin-1-ylsulfonyl)indoline-1-carboxamido)benzoate
• 英文别名: Ethyl 3-[[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]amino]benzoate
• CAS: 1205555-09-4
• 化学式: C₂₈H₂₉ClN₄O₅S
• 分子量: 569.081
• InChiKey: RSJBPFRPKJBGQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [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：WO2010011666A2

  公开（公告）日：2010-01-28

  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; R1 is cycloalkyl, heterocycloalkyl, aryl, or heteroaryl, any of which can be optionally substituted with one or more of halogen; alkyl; heteroalkyl; -COOH; -C(R3)3, wherein R3 can independently be any of -H or halogen; or -OR4, wherein R4 can be any of H, alkyl. or heteroalkyl; R2 is alkyl, alkylcarbonyl, heteroalkylcarbonyl, aryl, arylcarbonyl, heterocycloalkylcarbonyl, cycloalkylcarbonyl, or -C(O)NR6R7, any of which can be optionally substituted with one or more of halogen; alkyl; heteroalkyl; carbonyl; -OR4, wherein R4 can be -H, alkyl, or heteroalkyl; -OH; -C(RO3)3, wherein R3 can independently be any of -H or halogen; aryl, which can be substituted with one or more of halogen or - OR4; heterocycloalkyl; or -C(O)OR5, wherein R5 can be -H or alkyl; R6 and R7 are independently -H, alkyl, heteroalkyl, aryl, or heteroaryl; and R1 is H or alkyl; or a pharmaceutically acceptable salt or hydrate thereof.