ethyl 4-({[3-(N-hydroxycarbamimidoyl)phenyl]amino)methyl)-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoate | 365462-06-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-({[3-(N-hydroxycarbamimidoyl)phenyl]amino)methyl)-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoate
• 英文别名: ethyl 4-([{3-(N-hydroxycarbamimidoyl)phenyl]amino}methyl)-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoate；ethyl 4-[[3-(N'-hydroxycarbamimidoyl)anilino]methyl]-3-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzoate
• CAS: 365462-06-2
• 化学式: C₃₀H₃₆N₆O₄
• 分子量: 544.654
• InChiKey: WANHHFZJIFUSAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ethyl 4-{[(3-cyanophenyl)amino]methyl}-3-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzoate 、 盐酸羟胺 、 三乙胺 在 silica gel 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以to give a crudely purified product, ethyl 4-([{3-(N-hydroxycarbamimidoyl)phenyl]amino}methyl)-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoate的产率得到ethyl 4-({[3-(N-hydroxycarbamimidoyl)phenyl]amino)methyl)-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoate
  参考文献：
  名称：

  Diazepan derivatives or salts thereof

  摘要：

  提供一种基于抑制活化血凝因子X的抗凝作用的化合物，可用作抗凝剂或预防和治疗由血栓或栓子引起的疾病的药物。一种苯二氮平衍生物，例如4-[(3-氨基甲酰苯基)氨基甲基]-3-[(4-甲基-1,4-二氮杂环-1-基)苯甲酰氨基]苯甲酸和3-羟基-4'-甲氧基-2-{[4-(4-甲基-1,4-二氮杂环-1-基)苯甲酰]氨基}苯甲酰亚胺或其盐是有效成分。

  公开号：

  US06642224B1

文献信息

• Diazepane derivatives or salts thereof
  申请人：——

  公开号：US20030195193A1

  公开（公告）日：2003-10-16

  To provide a compound which has an anticoagulation action based upon inhibition of activated blood coagulation factor X and is useful as an anticoagulant or an agent for prevention and treatment of diseases caused by thrombus or embolus. A diazepan derivative such as 4-[(3-carbamimidoylphenylamino)methyl]-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoic acid and 3-hydroxy-4′methoxy-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzanilide or a salt thereof is an effective ingredient.

  提供一种基于抑制活化的血液凝血因子X而具有抗凝作用的化合物，可用作抗凝剂或预防和治疗由血栓或栓塞引起的疾病的药物。4-[(3-羧基胍基苯基氨基)甲基]-3-[4-(4-甲基-1,4-二氮杂环庚烷-1-基)苯甲酰氨基]苯甲酸和3-羟基-4′-甲氧基-2-{[4-(4-甲基-1,4-二氮杂环庚烷-1-基)苯甲酰]氨基}苯甲酰胺或其盐是有效成分。
• Diazepan derivatives or salts thereof
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：US20040068109A1

  公开（公告）日：2004-04-08

  To provide a compound which has an anticoagulation action based upon inhibition of activated blood coagulation factor X and is useful as an anticoagulant or an agent for prevention and treatment of diseases caused by thrombus or embolus. A diazepan derivative such as 4-[(3-carbamimidoylphenylamino)methyl]-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoic acid and 3-hydroxy-4′-methoxy-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzanilide or a salt thereof is an effective ingredient.

  提供一种化合物，其基于抑制活化的血液凝血因子X具有抗凝作用，并可用作抗凝剂或预防和治疗由血栓或栓子引起的疾病的药物。一种苯二氮平衍生物，例如4-[(3-氨基甲酰苯基)氨基甲基]-3-[(4-甲基-1,4-二氮平-1-基)苯甲酰氨基]苯甲酸和3-羟基-4'-甲氧基-2-[4-(4-甲基-1,4-二氮平-1-基)苯甲酰]氨基}苯甲酰苯胺或其盐是有效成分。
• DIAZEPANE DERIVATIVES OR SALTS THEREOF
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP1273575A1

  公开（公告）日：2003-01-08

  To provide a compound which has an anticoagulation action based upon inhibition of activated blood coagulation factor X and is useful as an anticoagulant or an agent for prevention and treatment of diseases caused by thrombus or embolus. A diazepan derivative such as 4-[(3-carbamimidoylphenylamino)methyl]-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoic acid and 3-hydroxy-4'-methoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzanilide or a salt thereof is an effective ingredient.

  提供一种化合物，它具有基于抑制活化的血液凝固因子 X 的抗凝作用，可用作抗凝剂或预防和治疗由血栓或栓子引起的疾病的药物。一种二氮杂卓衍生物，如 4-[(3-氨基甲酰基苯基氨基)甲基]-3-[4-(4-甲基-1,4-二氮杂卓-1-基)苯甲酰基氨基]苯甲酸和 3-羟基-4'-甲氧基-2-[4-(4-甲基-1,4-二氮杂卓-1-基)苯甲酰基]氨基}苯甲酰苯胺或其盐是一种有效成分。
• Diazepan derivatives useful as factor X inhibitor
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP1415990A1

  公开（公告）日：2004-05-06

  To provide a compound which has an anticoagulation action based upon inhibition of activated blood coagulation factor X and is useful as an anticoagulant or an agent for prevention and treatment of diseases caused by thrombus or embolus. A diazepan derivative such as 4-[(3-carbamimidoylphenylamino)methyl]-3-[4-(4-methyl-1,4-diazepan-1-yl)benzoylamino]benzoic acid and 3-hydroxy-4'-methoxy-2-[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzanilide or a salt thereof is an effective ingredient.

  提供一种化合物，它具有基于抑制活化的血液凝固因子 X 的抗凝作用，可用作抗凝剂或预防和治疗由血栓或栓子引起的疾病的药物。一种二氮杂卓衍生物，如 4-[(3-氨基甲酰基苯基氨基)甲基]-3-[4-(4-甲基-1,4-二氮杂卓-1-基)苯甲酰基氨基]苯甲酸和 3-羟基-4'-甲氧基-2-[4-(4-甲基-1,4-二氮杂卓-1-基)苯甲酰基]氨基}苯甲酰苯胺或其盐是一种有效成分。
• USRE043481E1
  申请人：——

  公开号：——

  公开（公告）日：——