(S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione | 1130410-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
• 英文别名: WC-II-100；1-[[4-(2-fluoroethoxy)phenyl]methyl]-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
• CAS: 1130410-42-2
• 化学式: C₂₇H₂₆FN₃O₆S
• 分子量: 539.584
• InChiKey: IYOWHFAECQXBOU-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione 、 丙二腈 以 甲醇 为溶剂， 反应 1.0h， 生成 (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile
  参考文献：
  名称：

  Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: Introduction of a hydrophilic group increases potency in a whole cell assay

  摘要：

  A series of isatin analogs containing a hydrophilic group, including a pyridine ring, ethylene glycol group, and a triazole ring, have been synthesized, and their inhibition potency for caspase-3 was measured both in vitro (i.e., recombinant enzyme) and in whole cells (HeLa cells). The analogs having a hydrophilic group, including 12, 13, 16, 38, and 40, have dramatically increased activity in vitro and in HeLa cells compared to the corresponding unsubstituted N-phenyl isatin analogs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.015
• 作为产物：
  描述：

  5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione 、 1-(bromomethyl)-4-(2-fluoroethoxy)benzene 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 生成 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
  参考文献：
  名称：

  Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: Introduction of a hydrophilic group increases potency in a whole cell assay

  摘要：

  A series of isatin analogs containing a hydrophilic group, including a pyridine ring, ethylene glycol group, and a triazole ring, have been synthesized, and their inhibition potency for caspase-3 was measured both in vitro (i.e., recombinant enzyme) and in whole cells (HeLa cells). The analogs having a hydrophilic group, including 12, 13, 16, 38, and 40, have dramatically increased activity in vitro and in HeLa cells compared to the corresponding unsubstituted N-phenyl isatin analogs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.015

文献信息

• Compound for treatment of myotonic dystrophy type 1
  申请人：Universitat De València, Estudi General

  公开号：EP3034074A1

  公开（公告）日：2016-06-22

  The present invention relates to a compound, or a salt thereof, and a pharmaceutical composition comprising said compound, or a salt thereof, for use in the prevention and/or treatment of myotonic dystrophy type 1 in a patient, in particular by reducing the levels of autophagy and apoptosis that are elevated in myotonic muscular dystrophy type 1.

  本发明涉及一种化合物或其盐，以及包含所述化合物或其盐的药物组合物，用于预防和/或治疗患者的肌营养不良症1型，特别是通过降低肌营养不良症1型中升高的自噬和细胞凋亡水平。
• COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1
  申请人：Universitat De València, Estudi General

  公开号：EP3233073A1

  公开（公告）日：2017-10-25
• [EN] COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1<br/>[FR] COMPOSÉ POUR LE TRAITEMENT D'UNE DYSTROPHIE MYOTONIQUE DE TYPE 1
  申请人：UNI DE VALÈNCIA ESTUDI GENERAL

  公开号：WO2016097299A1

  公开（公告）日：2016-06-23

  Compound for treatment of myotonic dystrophy type The present invention relates to a compound, or a salt thereof, and a pharmaceutical composition comprising said compound, or a salt thereof, for use in the prevention and/or treatment of myotonic dystrophy type 1 in a patient, in particular by reducing the levels of autophagy and apoptosis that are elevated in myotonic muscular dystrophy type 1.
• Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: Introduction of a hydrophilic group increases potency in a whole cell assay
  作者：Wenhua Chu、Justin Rothfuss、Dong Zhou、Robert H. Mach

  DOI：10.1016/j.bmcl.2011.03.015

  日期：2011.4

  A series of isatin analogs containing a hydrophilic group, including a pyridine ring, ethylene glycol group, and a triazole ring, have been synthesized, and their inhibition potency for caspase-3 was measured both in vitro (i.e., recombinant enzyme) and in whole cells (HeLa cells). The analogs having a hydrophilic group, including 12, 13, 16, 38, and 40, have dramatically increased activity in vitro and in HeLa cells compared to the corresponding unsubstituted N-phenyl isatin analogs. (C) 2011 Elsevier Ltd. All rights reserved.