TPC-806 | 349668-53-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: TPC-806
• 英文别名: 4-(1-((4-methylbenzothiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid；4-[1-(4-methyl-benzo[b]thiophen-3-ylmethyl)-1H-benzoimidazol-2-ylsulfanyl]-butyric acid；4-(1-((4-methylbenzo[b]thiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid；4-({1-[(4-Methyl-1-Benzothiophen-3-Yl)methyl]-1h-Benzimidazol-2-Yl}sulfanyl)butanoic Acid；4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid
• CAS: 349668-53-7
• 化学式: C₂₁H₂₀N₂O₂S₂
• 分子量: 396.534
• InChiKey: YSOMBHFITHOMPW-UHFFFAOYSA-N

物化性质

• 沸点：
  666.0±65.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  TPC-806 在 硫酸 作用下， 以 溶剂黄146 、 丁酮 为溶剂， 以80%的产率得到4-(1-((4-methylbenzothiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid sulfate
  参考文献：
  名称：

  EP1826207

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(1-((4-methylbenzothiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid hydrate 反应 8.0h， 生成 TPC-806
  参考文献：
  名称：

  EP1626048

  摘要：

  公开号：

文献信息

• NOVEL IMIDAZOPYRIDINE COMPOUND
  申请人：Takeuchi Jun

  公开号：US20120094944A1

  公开（公告）日：2012-04-19

  For the prevention and/or treatment of chymase-mediated diseases such as skin diseases, circulatory diseases, digestive system diseases, respiratory diseases, liver diseases, ocular diseases or the like, a drug is provided having as an active ingredient a compound having extremely strong chymase inhibitory activity, high safety, and high metabolic stability. The compound represented by the formula (I): wherein all symbols have the same meanings as in the description, a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof, is useful as a pharmaceutical ingredient having chymase inhibitory activity for preventing and/or treating of chymase-mediated disease, such as skin diseases, circulatory diseases, digestive system diseases, respiratory diseases, liver diseases, ocular diseases or the like.

  为了预防和/或治疗由钳切酶介导的疾病，如皮肤疾病、循环系统疾病、消化系统疾病、呼吸系统疾病、肝脏疾病、眼部疾病等，提供了一种药物，其活性成分是具有极强的钳切酶抑制活性、高安全性和高代谢稳定性的化合物。该化合物由以下式子表示：其中所有符号的含义与描述中相同，其盐、N-氧化物或溶剂化物，或其前药形式，可用作具有钳切酶抑制活性的药用成分，用于预防和/或治疗由钳切酶介导的疾病，如皮肤疾病、循环系统疾病、消化系统疾病、呼吸系统疾病、肝脏疾病、眼部疾病等。
• Acid Salt of Benzimidazole Derivative and Crystal Thereof
  申请人：Teramoto Mitsuru

  公开号：US20080015240A1

  公开（公告）日：2008-01-17

  The present invention provides acid salts, such as sulfate, hydrochloride, and methanesulfonate, of 4-(1-((4-methylbenzothiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid and the crystals thereof. These benzimidazole derivatives and the crystals thereof have an in vivo chymase inhibitory activity and can be used as a preventive or therapeutic agent for inflammatory diseases, allergic diseases, respiratory diseases, circulatory diseases, or bone/cartilage metabolic diseases.

  本发明提供了4-(1-((4-甲基苯并噻吩-3-基)甲基)苯并咪唑-2-基硫基)丁酸的酸盐，例如硫酸盐、盐酸盐和甲烷磺酸盐，以及其晶体。这些苯并咪唑衍生物及其晶体具有体内凝血酶抑制活性，并可用作预防或治疗炎症性疾病、过敏性疾病、呼吸系统疾病、循环系统疾病或骨骼/软骨代谢疾病的药物。
• CRYSTAL OF BENZIMIDAZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME
  申请人：Teijin Pharma Limited

  公开号：EP1626048A1

  公开（公告）日：2006-02-15

  Various crystal forms of 4-(1-((4-methylbenzothiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid from a solvent, and a process for production thereof are provided.

  提供了从溶剂中提取 4-(1-((4-甲基苯并噻吩-3-基)甲基)苯并咪唑-2-硫基)丁酸的各种晶型及其生产工艺。
• DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT
  申请人：Teijin Pharma Limited

  公开号：EP1666067A1

  公开（公告）日：2006-06-07

  The present invention provides drugs containing chymase inhibitors as active ingredients for improving glucose intolerance or preventing and/or treating diseases caused by glucose intolerance. The diseases caused by glucose intolerance are diabetes and/or diabetes complications, wherein the diabetes complications include diabetic nephropathy, diabetic retinopathy, diabetic peripheral neuropathy, hyperinsulinism, insulin resistance syndrome, arteriosclerosis, acute coronary syndrome, arteriosclerosis obliterans, angitis, stroke, hypertension, renal insufficiency, nephropathy, nephritis, renal artery aneurysm, renal infarction, obesity and the like.

  本发明提供了含有糜蛋白酶抑制剂作为活性成分的药物，用于改善葡萄糖不耐受症或预防和/或治疗葡萄糖不耐受症引起的疾病。葡萄糖不耐受引起的疾病是糖尿病和/或糖尿病并发症，其中糖尿病并发症包括糖尿病肾病、糖尿病视网膜病变、糖尿病周围神经病变、高胰岛素血症、胰岛素抵抗综合征、动脉硬化、急性冠脉综合征、动脉硬化闭塞症、血管炎、中风、高血压、肾功能不全、肾病、肾炎、肾动脉瘤、肾梗塞、肥胖症等。
• ACID SALT OF BENZIMIDAZOLE DERIVATIVE AND CRYSTAL THEREOF
  申请人：Teijin Pharma Limited

  公开号：EP1826207A1

  公开（公告）日：2007-08-29

  The present invention provides acid salts, such as sulfate, hydrochloride, and methanesulfonate, of 4-(1-((4-methylbenzothiophen-3-yl)methyl)benzimidazol-2-ylthio)butanoic acid and the crystals thereof. These benzimidazole derivatives and the crystals thereof have an in vivo chymase inhibitory activity and can be used as a preventive or therapeutic agent for inflammatory diseases, allergic diseases, respiratory diseases, circulatory diseases, or bone/cartilage metabolic diseases.

  本发明提供了4-(1-((4-甲基苯并噻吩-3-基)甲基)苯并咪唑-2-硫基)丁酸及其晶体的酸盐，如硫酸盐、盐酸盐和甲磺酸盐。这些苯并咪唑衍生物及其晶体具有体内糜蛋白酶抑制活性，可用作炎症性疾病、过敏性疾病、呼吸系统疾病、循环系统疾病或骨/软骨代谢疾病的预防或治疗剂。