本塔马莫 | 848344-36-5

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 本塔马莫
• 中文别名: (1,3-苯并噻唑-2-基)[2-[4-[(吗啉-4-基)甲基]苄氧基]嘧啶-4-基]乙腈
• 英文名称: bentamapimod
• 英文别名: AS-602801；2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile
• CAS: 848344-36-5
• 化学式: C₂₅H₂₃N₅O₂S
• 分子量: 457.556
• InChiKey: XCPPIJCBCWUBNT-UHFFFAOYSA-N

物化性质

• 沸点：
  666.5±65.0 °C(Predicted)
• 密度：
  1.326
• 溶解度：
  不溶于水；不溶于乙醇； ≥11.45 mg/mL，溶于 DMSO

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

制备方法与用途

生物活性

Bentamapimod（AS602801）是一种新型的、具有口服活性的JNK抑制剂，对JNK1、JNK2和JNK3的IC50值分别为80 nM、90 nM和230 nM。

靶点

Target	Value
JNK1 (Cell-free assay)	80 nM
JNK2 (Cell-free assay)	90 nM
JNK3 (Cell-free assay)	230 nM

文献信息

• Benzothiazole Formulations and Use Thereof
  申请人：Esposito Pierandrea

  公开号：US20080051397A1

  公开（公告）日：2008-02-28

  The present invention is related to macrogol glyceride pharmaceutical formulations containing benzothiazole derivatives. In particular, the invention is related to benzothiazole stearoyl macrogol pharmaceutical formulations, method of preparation and use thereof.

  本发明涉及含有苯并噻唑衍生物的大聚乙二醇甘油酯制剂。具体地，本发明涉及苯并噻唑硬脂酰大聚乙二醇制剂，其制备方法和用途。
• Benzazole derivatives and their use as jnk modulators
  申请人：——

  公开号：US20030162794A1

  公开（公告）日：2003-08-28

  The present invention is related to benzazole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such benzazole derivatives. Said benzazole derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK2 and/or 3. The present invention is furthermore related to novel benzazole derivatives as well as to methods of their preparation. 1 X is O, S or NR 0 , with R 0 being H or an unsubstituted or substituted C 1 -C 6 alkyl; G is an unsubstituted or substituted pyrimidinyl group.

  本发明涉及苯唑衍生物，特别用作药用活性化合物，以及含有该类苯唑衍生物的药物配方。所述苯唑衍生物是JNK途径的高效调节剂，特别是JNK2和/或3的高效和选择性抑制剂。本发明还涉及新型苯唑衍生物以及它们的制备方法。其中1X为O、S或NR0，其中R0为H或未取代或取代的C1-C6烷基；G为未取代或取代的嘧啶基团。
• [EN] BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA<br/>[FR] DERIVES DE BENZAZOLE POUR LE TRAITEMENT DE SCLERODERMIE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003047570A1

  公开（公告）日：2003-06-12

  The present invention is related to the use of benzazole derivatives of formula (I) for the treatment and/or prevention of scleroderma and its therapeutic implications selected in the group consisting of systemic sclerosis, scleroderma-like disoders, sine scleroderma, liver cirrhosis, interstitial pulmonary fibrosis, Dupuytren's contracture, keloid and other scarring/wound healing abnormalities, postoperative adhesions and reactive fibrosis, as well as chronic heart failure, in particular after myocardial infarction.

  本发明涉及使用式(I)的苯并咪唑衍生物治疗和/或预防硬皮病及其治疗意义的方法，所述治疗意义包括系统性硬化症、类硬皮病、纯皮硬化症、肝硬化、间质性肺纤维化、杜普伊特伦收缩、瘢痕增生/伤口愈合异常、术后粘连和反应性纤维化，以及慢性心力衰竭，特别是心肌梗死后。
• Benzazole derivatives for the treatment of scleroderma
  申请人：Gotteland Jean-Pierre

  公开号：US20050119277A1

  公开（公告）日：2005-06-02

  The present invention is related to the use of benzazole derivatives of formula (I) for the treatment and/or prevention of scleroderma and its therapeutic implications selected in the group consisting of systemic sclerosis, scleroderma-like disoders, sine scleroderma, liver cirrhosis, interstitial pulmonary fibrosis, Dupuytren's contracture, keloid and other scarring/wound healing abnormalities, postoperative adhesions and reactive fibrosis, as well as chronic heart failure, in particular after myocardial infarction.

  本发明涉及使用式(I)的苯并咪唑衍生物治疗和/或预防硬皮病及其治疗意义，所述治疗意义选自以下组中的系统性硬化症、类硬皮病、单纯性硬皮病、肝硬化、间质性肺纤维化、杜普伊特伦收缩、瘢痕和其他瘢痕/伤口愈合异常、术后粘连和反应性纤维化，以及慢性心力衰竭，特别是心肌梗死后。
• Sulfonamide derivatives and use thereof for the modulation of metalloproteinases
  申请人：Gerber Patrick

  公开号：US20090221575A1

  公开（公告）日：2009-09-03

  The present invention is related to sulfonamide derivatives of Formula (Ia) where the groups are as defined in the description, and use thereof in particular for the treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis.

  本发明涉及公式（Ia）的磺酰胺衍生物，其中各基团如描述中所定义，并且其在治疗和/或预防自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、癌症、呼吸道疾病和纤维化，包括多发性硬化症、关节炎、肺气肿、慢性阻塞性肺疾病、肝脏和肺部纤维化等方面的用途。