4-(2-{4-[({2-[(3-{[(2-{[(carboxymethoxy)carbonyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]phenyl}ethyl)benzoic acid hydrochloride | 1432118-08-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(2-{4-[({2-[(3-{[(2-{[(carboxymethoxy)carbonyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]phenyl}ethyl)benzoic acid hydrochloride
• 英文别名: 4-(2-{4-[({2-[(3-{[(2-{[(Carboxymethoxy)carbonyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]phenyl}ethyl)benzoic acid hydrochloride；4-[2-[4-[[2-[[3-[[2-[carboxymethoxycarbonyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;hydrochloride
• CAS: 1432118-08-5
• 化学式: C₄₃H₅₀N₄O₈S*ClH
• 分子量: 819.419
• InChiKey: LTCAOAMILYIASE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.18
• 重原子数：
  57
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  194
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-(2-{4-[({2-[(3-{[(2-{[(carboxymethoxy)carbonyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]phenyl}ethyl)benzoic acid hydrochloride 在 sodium hydroxide 、 magnesium chloride 作用下， 以 乙醇 、 水 为溶剂， 反应 0.75h， 以105 mg的产率得到magnesium 4-(2-{4-[({2-[(3-{[(2-{[(carboxylatomethoxy)carbonyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]phenyl}ethyl)benzoate
  参考文献：
  名称：

  AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE

  摘要：

  公开号：

  EP2772490B1
• 作为产物：
  描述：

  methyl 4-{2-[4-({[2-({3-[7-methyl-3,6-dioxo-10-(pentan-3-yl)-2,5-dioxa-7,10-diazaundecan-11-yl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]ethyl}benzoate 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 14.0h， 以186 mg的产率得到4-(2-{4-[({2-[(3-{[(2-{[(carboxymethoxy)carbonyl](methyl)amino}ethyl)(pentan-3-yl)amino]methyl}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]phenyl}ethyl)benzoic acid hydrochloride
  参考文献：
  名称：

  AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE

  摘要：

  公开号：

  EP2772490B1

文献信息

• Aminoalkyl-substituted N-thienylbenzamide derivative
  申请人：ASTELLAS PHARMA INC.

  公开号：US09062032B2

  公开（公告）日：2015-06-23

  [Problem] To provide a compound that has an intestinal phosphate transporter (NPT-IIb) inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. [Means for Solution] The present inventors conducted their studies on a compound that has an NPT-IIb inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. As a result, they created an aminoalkyl-substituted N-thienylbenzamide derivative which has NPT-IIb inhibitory action, thereby completing the present invention. The aminoalkyl-substituted N-thienylbenzamide derivative of the present invention has an NPT-IIb inhibitory action and can be used as an agent for preventing and/or treating hyperphosphatemia.

  [问题] 提供一种具有肠道磷酸转运体（NPT-IIb）抑制作用并可用作治疗和/或预防高磷血症药物的有效成分的化合物。 [解决方法] 现有发明人对具有NPT-IIb抑制作用并可用作治疗和/或预防高磷血症药物的有效成分的化合物进行了研究。结果，他们创造了一种具有NPT-IIb抑制作用的氨基烷基取代N-噻吩基苯甲酰胺衍生物，从而完成了本发明。本发明的氨基烷基取代N-噻吩基苯甲酰胺衍生物具有NPT-IIb抑制作用，并可用作预防和/或治疗高磷血症的药物。
• AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE
  申请人：ASTELLAS PHARMA INC.

  公开号：US20150031727A1

  公开（公告）日：2015-01-29

  [Problem] To provide a compound that has an intestinal phosphate transporter (NPT-IIb) inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. [Means for Solution] The present inventors conducted their studies on a compound that has an NPT-IIb inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. As a result, they created an aminoalkyl-substituted N-thienylbenzamide derivative which has NPT-IIb inhibitory action, thereby completing the present invention. The aminoalkyl-substituted N-thienylbenzamide derivative of the present invention has an NPT-IIb inhibitory action and can be used as an agent for preventing and/or treating hyperphosphatemia.

  【问题】提供一种具有肠道磷酸转运体（NPT-IIb）抑制作用并且可用作治疗和/或预防高磷血症药物的活性成分的化合物。【解决方案】本发明人对一种具有NPT-IIb抑制作用并且可用作治疗和/或预防高磷血症药物的活性成分的化合物进行了研究。结果，他们创造了一种具有NPT-IIb抑制作用的氨基烷基取代的N-噻吩基苯酰胺衍生物，从而完成了本发明。本发明的氨基烷基取代的N-噻吩基苯酰胺衍生物具有NPT-IIb抑制作用，并可用作预防和/或治疗高磷血症的药物。
• US9062032B2
  申请人：——

  公开号：US9062032B2

  公开（公告）日：2015-06-23
• AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE
  申请人：Astellas Pharma Inc.

  公开号：EP2772490B1

  公开（公告）日：2016-04-06