TW-96 | 880550-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: TW-96
• 英文别名: 2-(pyrrolidin-1-yl)-3-(p-hydroxy-phenylamino)-1,4-naphthoquinone；2-(4-Hydroxyanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
• CAS: 880550-25-4
• 化学式: C₂₀H₁₈N₂O₃
• 分子量: 334.375
• InChiKey: QXETYZLTUFMSAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  TW-96 、 乙酸酐 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以74%的产率得到2-pyrrolidin-1-yl-3-(4-acetoxyphenylamino)-1,4-naphthoquinone
  参考文献：
  名称：

  Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases

  摘要：

  该发明提供了吡咯烷基取代的1,4-萘醌衍生物，可以调节蛋白激酶的活性，并且涉及使用这些衍生物在药物组合物中治疗心血管疾病和恶性肿瘤。该发明特别提供了用于治疗与MAPKs信号传导、ERKs信号传导、p38信号传导和JNKs信号传导相关的疾病的药物。

  公开号：

  US20080300274A1
• 作为产物：
  描述：

  四氢吡咯 、 2-氯-3-(4-羟基苯胺基)-1,4-萘醌 反应 2.0h， 以40%的产率得到TW-96
  参考文献：
  名称：

  Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases

  摘要：

  该发明提供了吡咯烷基取代的1,4-萘醌衍生物，可以调节蛋白激酶的活性，并且涉及使用这些衍生物在药物组合物中治疗心血管疾病和恶性肿瘤。该发明特别提供了用于治疗与MAPKs信号传导、ERKs信号传导、p38信号传导和JNKs信号传导相关的疾病的药物。

  公开号：

  US20080300274A1

文献信息

• NAPHTHOQUINONE DERIVATIVES USEFUL FOR PREVENTION OF AMYLOID DEPOSITS AND TREATMENT OF DISEASES INVOLVING AMYLOIDOGENESIS
  申请人：Scherzer Roni

  公开号：US20110224184A1

  公开（公告）日：2011-09-15

  The present invention provides pharmaceutical compositions comprising substituted 1,4 naphthoquinones that are effective in preventing oligomerization of beta amyloid and subsequent pathologies associated with amyloid fibrils. These compositions are useful for the treatment of disease involving amyloidogenesis including neurodegenerative diseases such as Alzheimer's Disease or senile dementia. Particularly effective compositions comprise 1,4 naphthoquinones substituted with an amino acid residue selected from a heterocyclic or aromatic amino acid.
• US8513437B2
  申请人：——

  公开号：US8513437B2

  公开（公告）日：2013-08-20
• US9272993B2
  申请人：——

  公开号：US9272993B2

  公开（公告）日：2016-03-01
• [EN] NAPHTHOQUINONE DERIVATIVES USEFUL FOR PREVENTION OF AMYLOID DEPOSITS AND TREATMENT OF DISEASES INVOLVING AMYLOIDOGENESIS<br/>[FR] DÉRIVÉS DE NAPHTOQUINONE UTILES POUR LA PRÉVENTION DE DÉPÔTS AMYLOÏDES ET POUR LE TRAITEMENT DE MALADIES METTANT EN JEU L'AMYLOÏDOGENÈSE
  申请人：UNIV RAMOT

  公开号：WO2010026592A1

  公开（公告）日：2010-03-11

  The present invention provides pharmaceutical compositions comprising substituted 1,4 naphthoquinones that are effective in preventing oligomerization of beta amyloid and subsequent pathologies associated with amyloid fibrils. These compositions are useful for the treatment of disease involving amyloidogenesis including neurodegenerative diseases such as Alzheimer's Disease or senile dementia. Particularly effective compositions comprise 1,4 naphthoquinones substituted with an amino acid residue selected from a heterocyclic or aromatic amino acid.
• Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases
  申请人：Granot Yossi

  公开号：US20080300274A1

  公开（公告）日：2008-12-04

  The invention provides pyrrolidino-substituted 1,4-naphthoquinone derivatives that modulate the activity of protein kinases, and it relates to the use of the derivatives in pharmaceutical compositions for treating cardiovascular disorders and malignancies. The invention particularly provides medicaments for treating disorders associated with MAPKs signaling, ERKs signaling, p38 signaling, and JNKs signaling.

  该发明提供了吡咯烷基取代的1,4-萘醌衍生物，可以调节蛋白激酶的活性，并且涉及使用这些衍生物在药物组合物中治疗心血管疾病和恶性肿瘤。该发明特别提供了用于治疗与MAPKs信号传导、ERKs信号传导、p38信号传导和JNKs信号传导相关的疾病的药物。